5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

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Basic information

CAS: 852916-15-5
Standard SMILES: O=C(NCc1cccnc1)c1cncc(Br)c1
InChIKey: YWBLMFDTKWCRMY-UHFFFAOYSA-N
Molecular formula: C12H10BrN3O
Average molar mass: 292.13 g/mol
Monoisotopic mass: 291.00072

Names & identifiers

Preferred name: 5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
IUPAC: 5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Names & synonyms

852916-15-55-bromo-N-(3-pyridinylmethyl)-3-pyridinecarboxamide5-BROMO-N-(PYRIDIN-3-YLMETHYL)NICOTINAMIDE5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamideDTXSID80406546AKOS008921205DB-076319Z301730275-bromo-N-[(pyridin-3-yl)methyl]pyridine-3-carboxamide

Database identifiers

CAS: 852916-15-5
PubChem CID: 4787802
DTXSID: DTXSID80406546

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 262

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Compound notes

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