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

HCID 60205379
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Basic information

Standard SMILES
O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1ncccn1
InChIKey
FXRIROWCAQFUKO-UHFFFAOYSA-N
Molecular formula
C12H7BrFN5O
Average molar mass
336.12 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1470452FXRIROWCAQFUKO-UHFFFAOYSA-NN-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide

Database identifiers

PubChem CID
60205379

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
83.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

12 records
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Linked notes

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