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

HCID 60205331CAS 1196507-80-8
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Basic information

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 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
21

Related reactions

12 records
New reaction record

Linked notes

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