3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

Modify Date: 2025-10-04 12:32:50

3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Structure
3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one structure
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

 Names

Name 3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

Hazard Codes Xn
HS Code 2933990090

 Synthetic Route

~98%

3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Structure

3,3-Dibromo-1H-...

CAS#:113423-51-1

Literature: E. R. Squibb and Sons, Inc. Patent: US6117885 A1, 2000 ;

~29%

3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Structure

3,3-Dibromo-1H-...

CAS#:113423-51-1

Literature: SUGEN, INC. Patent: WO2005/5378 A2, 2005 ; Location in patent: Page/Page column 43 ; WO 2005/005378 A2

~%

3,3-Dibromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one Structure

3,3-Dibromo-1H-...

CAS#:113423-51-1

Literature: SmithKline Beecham Corporation Patent: US6624171 B1, 2003 ; US 6624171 B1

 Customs

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%

 Synonyms

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
2H-Pyrrolo[2,3-b]pyridin-2-one, 3,3-dibromo-1,3-dihydro-
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