3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
![3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Structure](https://image.chemsrc.com/caspic/175/113423-51-1.png)
3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one structure
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Common Name | 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | ||
|---|---|---|---|---|
| CAS Number | 113423-51-1 | Molecular Weight | 291.927 | |
| Density | 2.2±0.1 g/cm3 | Boiling Point | 382.5±42.0 °C at 760 mmHg | |
| Molecular Formula | C7H4Br2N2O | Melting Point | 198-199 °C | |
| MSDS | N/A | Flash Point | 185.2±27.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one |
|---|---|
| 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 | 2.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 382.5±42.0 °C at 760 mmHg |
| Melting Point | 198-199 °C |
| Molecular Formula | C7H4Br2N2O |
| Molecular Weight | 291.927 |
| Flash Point | 185.2±27.9 °C |
| Exact Mass | 289.869019 |
| PSA | 41.99000 |
| LogP | 1.78 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.701 |
| InChIKey | JHDQERQROBFSSO-UHFFFAOYSA-N |
| SMILES | O=C1Nc2ncccc2C1(Br)Br |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
3,3-Dibromo-1H-... CAS#:113423-51-1 |
| Literature: E. R. Squibb and Sons, Inc. Patent: US6117885 A1, 2000 ; |
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~29%
3,3-Dibromo-1H-... CAS#:113423-51-1
Learn More
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| Literature: SUGEN, INC. Patent: WO2005/5378 A2, 2005 ; Location in patent: Page/Page column 43 ; WO 2005/005378 A2 |
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~%
3,3-Dibromo-1H-... CAS#:113423-51-1 |
| Literature: SmithKline Beecham Corporation Patent: US6624171 B1, 2003 ; US 6624171 B1 |
![3,3,5-TRIBROMO-1H-PYRROLO[2,3-B]PYRIDIN-2(3H)-ONE structure](https://image.chemsrc.com/caspic/337/183208-32-4.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 4 | |
![1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-on structure](https://image.chemsrc.com/caspic/077/5654-97-7.png)
CAS#:5654-97-7![1H-Pyrrolo[2,3-b]pyridine-2,3-dione structure](https://image.chemsrc.com/caspic/153/5654-95-5.png)
CAS#:5654-95-5![5-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one structure](https://image.chemsrc.com/caspic/261/183208-34-6.png)
CAS#:183208-34-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,3-Dibromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one |
| 3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: SMILES notation of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is O=C1Nc2ncccc2C1(Br)Br. |
| Q: What is the LogP of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: LogP of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 1.78. |
| Q: What English synonyms does 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one have? |
| A: English synonyms of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one: 3,3-Dibromo-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one, 3,3-dibromo-1H-pyrrolo[2,3-b]pyridin-2-one. |
| Q: What is the molecular weight of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: Molecular weight of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 291.927. |
| Q: What is the molecular formula of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: Molecular formula of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is C7H4Br2N2O. |
| Q: What is the boiling point of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: Boiling point of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 382.5±42.0 °C at 760 mmHg. |
| Q: What is the English name of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: The English name of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one. |
| Q: What is the melting point of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: Melting point of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 198-199 °C. |
| Q: What is the CAS number of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: CAS number of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one is 113423-51-1. |
| Q: What are the upstream materials of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one? |
| A: Related upstream materials(CAS) of 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one: 271-63-6;39416-48-3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |