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

• ChemBase ID: 811591
• Molecular Formular: C12H7Br2NO
• Molecular Mass: 340.99808
• Monoisotopic Mass: 338.88943785
• SMILES: n1cc(cc(c1)c1cc(cc(c1)Br)Br)C=O
• Canonical SMILES: O=Cc1cncc(c1)c1cc(Br)cc(c1)Br
• InChI: InChI=1S/C12H7Br2NO/c13-11-2-9(3-12(14)4-11)10-1-8(7-16)5-15-6-10/h1-7H
• InChIKey: MXOGWZVNZVEVGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6491039
• LogD (pH = 7.4): 3.6527596
• Log P: 3.6528063
• Molar Refractivity: 70.8669 cm^3
• Polarizability: 27.857094 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%