6-(2-bromophenyl)pyridine-3-carbaldehyde

• ChemBase ID: 812145
• Molecular Formular: C12H8BrNO
• Molecular Mass: 262.10202
• Monoisotopic Mass: 260.97892588
• SMILES: n1cc(ccc1c1c(cccc1)Br)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1ccccc1Br
• InChI: InChI=1S/C12H8BrNO/c13-11-4-2-1-3-10(11)12-6-5-9(8-15)7-14-12/h1-8H
• InChIKey: ZJRHZTQZGNDHSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-bromophenyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(2-bromophenyl)pyridine-3-carbaldehyde
• Synonyms: 6-(2-BROMO-PHENYL)-PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2692633
• LogD (pH = 7.4): 3.269896
• Log P: 3.2699041
• Molar Refractivity: 62.8721 cm^3
• Polarizability: 24.95648 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%