6-(4-bromophenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811466
• Molecular Formular: C12H8BrNO
• Molecular Mass: 262.10202
• Monoisotopic Mass: 260.97892588
• SMILES: n1c(cccc1c1ccc(cc1)Br)C=O
• Canonical SMILES: O=Cc1cccc(n1)c1ccc(cc1)Br
• InChI: InChI=1S/C12H8BrNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h1-8H
• InChIKey: HYQVALTXXBZBCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-bromophenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(4-bromophenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(4-BROMOPHENYL)PYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9434626
• LogD (pH = 7.4): 3.9444346
• Log P: 3.944447
• Molar Refractivity: 62.4869 cm^3
• Polarizability: 24.95555 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%