N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-methylbenzamide

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Basic information

CAS: 1196507-80-8
Standard SMILES: Cc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)c1
InChIKey: NFULGMLGXKXIJF-UHFFFAOYSA-N
Molecular formula: C15H11BrFN3O
Average molar mass: 348.17 g/mol
Monoisotopic mass: 347.00695229

Names & identifiers

Preferred name: N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-methylbenzamide
IUPAC: N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-methylbenzamide

Names & synonyms

N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-methylbenzamideSCHEMBL1468604NFULGMLGXKXIJF-UHFFFAOYSA-NDTXSID6011606431196507-80-8

Database identifiers

CAS: 1196507-80-8
PubChem CID: 60205331
DTXSID: DTXSID601160643

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 397

Related reactions

12 records

New reaction record

HRID 122480As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 408193As productuspto-grants-2014_06

HRID 408194As reactantuspto-grants-2014_06

HRID 875680As productuspto-grants-2015_03

HRID 875681As reactantuspto-grants-2015_03

HRID 1034686As productuspto-grants-2013_10

HRID 1034687As reactantuspto-grants-2013_10

Compound notes

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