5-bromo-N-(1-phenylethyl)pyridine-3-carboxamide

HCID 3989476

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Basic information

CAS: 313562-41-3
Standard SMILES: CC(NC(=O)c1cncc(Br)c1)c1ccccc1
InChIKey: PWLOGQHJYMWITB-UHFFFAOYSA-N
Molecular formula: C14H13BrN2O
Average molar mass: 305.17 g/mol
Monoisotopic mass: 304.02113

Names & identifiers

Preferred name: 5-bromo-N-(1-phenylethyl)pyridine-3-carboxamide
IUPAC: 5-bromo-N-(1-phenylethyl)pyridine-3-carboxamide

Names & synonyms

5-Bromo-N-(1-phenylethyl)-3-pyridinecarboxamide5-bromo-N-(1-phenylethyl)pyridine-3-carboxamideOprea1_459928DTXSID001241219AKOS002951572AKOS016195758313562-41-3

Database identifiers

CAS: 313562-41-3
PubChem CID: 3989476
DTXSID: DTXSID001241219

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 42 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 279

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