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

HCID 60205277
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Basic information

Standard SMILES
O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1cccnc1
InChIKey
DBAOFQCSAQXIIN-UHFFFAOYSA-N
Molecular formula
C13H8BrFN4O
Average molar mass
335.13 g/mol
Monoisotopic mass
333.98655

Names & identifiers

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

Names & synonyms

SCHEMBL1468749DBAOFQCSAQXIIN-UHFFFAOYSA-NN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)nicotinamide

Database identifiers

PubChem CID
60205277

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
70.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

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Linked notes

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