5-Fluoro-1-methyl-1H-indole-3-carbaldehyde
5-Fluoro-1-methyl-1H-indole-3-carbaldehyde structure
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Common Name | 5-Fluoro-1-methyl-1H-indole-3-carbaldehyde | ||
|---|---|---|---|---|
| CAS Number | 441715-30-6 | Molecular Weight | 177.17500 | |
| Density | 1.2g/cm3 | Boiling Point | 322.3ºC at 760 mmHg | |
| Molecular Formula | C10H8FNO | Melting Point | N/A | |
| MSDS | USA | Flash Point | 148.7ºC | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-fluoro-1-methylindole-3-carbaldehyde |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2g/cm3 |
|---|---|
| Boiling Point | 322.3ºC at 760 mmHg |
| Molecular Formula | C10H8FNO |
| Molecular Weight | 177.17500 |
| Flash Point | 148.7ºC |
| Exact Mass | 177.05900 |
| PSA | 22.00000 |
| LogP | 2.12990 |
| Index of Refraction | 1.568 |
| InChIKey | ZBZJEWSFESAGMQ-UHFFFAOYSA-N |
| SMILES | Cn1cc(C=O)c2cc(F)ccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H318 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~97%
5-Fluoro-1-meth... CAS#:441715-30-6 |
| Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1346982 A1, 2003 ; |
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~%
5-Fluoro-1-meth... CAS#:441715-30-6 |
| Literature: Setoguchi, Masaki; Iimura, Shin; Sugimoto, Yuuichi; Yoneda, Yoshiyuki; Chiba, Jun; Watanabe, Toshiyuki; Muro, Fumihito; Iigo, Yutaka; Takayama, Gensuke; Yokoyama, Mika; Taira, Tomoe; Aonuma, Misato; Takashi, Tohru; Nakayama, Atsushi; MacHinaga, Nobuo Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 3 p. 1201 - 1212 |
|
~85%
5-Fluoro-1-meth... CAS#:441715-30-6 |
| Literature: Chen, Jianbin; Liu, Bin; Liu, Dongfang; Liu, Shan; Cheng, Jiang Advanced Synthesis and Catalysis, 2012 , vol. 354, # 13 p. 2438 - 2442 |
|
~81%
5-Fluoro-1-meth... CAS#:441715-30-6 |
| Literature: Fei, Haiyang; Yu, Jintao; Jiang, Yan; Guo, Huan; Cheng, Jiang Organic and Biomolecular Chemistry, 2013 , vol. 11, # 41 p. 7092 - 7095 |
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~%
5-Fluoro-1-meth... CAS#:441715-30-6 |
| Literature: Tripathy, Rabindranath; Ghose, Arup; Singh, Jasbir; Bacon, Edward R.; Angeles, Thelma S.; Yang, Shi X.; Albom, Mark S.; Aimone, Lisa D.; Herman, Joseph L.; Mallamo, John P. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 6 p. 1793 - 1798 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-fluoro-1-methyl-1H-indole-3-carbaldehyde |
| HMS2669N14 |
| 5-fluoro-1-methyl-1H-indole-3-carboxaldehyde |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: Molecular formula of 5-fluoro-1-methylindole-3-carbaldehyde is C10H8FNO. |
| Q: What is the English name of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: The English name of 5-fluoro-1-methylindole-3-carbaldehyde is 5-fluoro-1-methylindole-3-carbaldehyde. |
| Q: What is the CAS number of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: CAS number of 5-fluoro-1-methylindole-3-carbaldehyde is 441715-30-6. |
| Q: What English synonyms does 5-fluoro-1-methylindole-3-carbaldehyde have? |
| A: English synonyms of 5-fluoro-1-methylindole-3-carbaldehyde: 5-fluoro-1-methyl-1H-indole-3-carbaldehyde, HMS2669N14, 5-fluoro-1-methyl-1H-indole-3-carboxaldehyde. |
| Q: What is the LogP of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: LogP of 5-fluoro-1-methylindole-3-carbaldehyde is 2.12990. |
| Q: What is the boiling point of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: Boiling point of 5-fluoro-1-methylindole-3-carbaldehyde is 322.3ºC at 760 mmHg. |
| Q: What are the upstream materials of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: Related upstream materials(CAS) of 5-fluoro-1-methylindole-3-carbaldehyde: 2338-71-8;74-88-4;116176-92-2;68-12-2;110-18-9;67-68-5;399-52-0. |
| Q: What is the InChIKey of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: InChIKey of 5-fluoro-1-methylindole-3-carbaldehyde is ZBZJEWSFESAGMQ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: Polar surface area (PSA) of 5-fluoro-1-methylindole-3-carbaldehyde is 22.00000. |
| Q: What is the SMILES notation of 5-fluoro-1-methylindole-3-carbaldehyde? |
| A: SMILES notation of 5-fluoro-1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2cc(F)ccc21. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |