5-bromo-N-(pyridin-3-yl)furan-2-carboxamide

• ChemBase ID: 310703
• Molecular Formular: C10H7BrN2O2
• Molecular Mass: 267.07878
• Monoisotopic Mass: 265.96908947
• SMILES: c1(C(=O)Nc2cnccc2)oc(cc1)Br
• Canonical SMILES: Brc1ccc(o1)C(=O)Nc1cccnc1
• InChI: InChI=1S/C10H7BrN2O2/c11-9-4-3-8(15-9)10(14)13-7-2-1-5-12-6-7/h1-6H,(H,13,14)
• InChIKey: ONUBBYMZGJIYEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N-(pyridin-3-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-bromo-N-(pyridin-3-yl)furan-2-carboxamide
• Synonyms: 5-bromo-N-3-pyridinyl-2-furamide

Database IDs

• CAS Number: 43151-32-2
• MDL Number: MFCD00578497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3496637
• LogD (pH = 7.4): 1.3761806
• Log P: 1.3768129
• Molar Refractivity: 59.2303 cm^3
• Polarizability: 21.920652 Å^3
• Polar Surface Area: 55.13 Å^2