6-(3,5-dibromophenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811489
• Molecular Formular: C12H7Br2NO
• Molecular Mass: 340.99808
• Monoisotopic Mass: 338.88943785
• SMILES: n1c(cccc1c1cc(cc(c1)Br)Br)C=O
• Canonical SMILES: O=Cc1cccc(n1)c1cc(Br)cc(c1)Br
• InChI: InChI=1S/C12H7Br2NO/c13-9-4-8(5-10(14)6-9)12-3-1-2-11(7-16)15-12/h1-7H
• InChIKey: JHSASKDRPQGKBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3,5-dibromophenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(3,5-dibromophenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(3,5-DIBROMOPHENYL)PYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7124124
• LogD (pH = 7.4): 4.71319
• Log P: 4.7131996
• Molar Refractivity: 70.1097 cm^3
• Polarizability: 27.862713 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%