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

• ChemBase ID: 812167
• Molecular Formular: C12H7Br2NO
• Molecular Mass: 340.99808
• Monoisotopic Mass: 338.88943785
• SMILES: n1cc(ccc1c1cc(cc(c1)Br)Br)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1cc(Br)cc(c1)Br
• InChI: InChI=1S/C12H7Br2NO/c13-10-3-9(4-11(14)5-10)12-2-1-8(7-16)6-15-12/h1-7H
• InChIKey: PDXABOMUYNQIRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0367827
• LogD (pH = 7.4): 4.038633
• Log P: 4.0386567
• Molar Refractivity: 70.4949 cm^3
• Polarizability: 27.858892 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%