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

• ChemBase ID: 812172
• Molecular Formular: C12H7Cl2NO
• Molecular Mass: 252.09608
• Monoisotopic Mass: 250.99046921
• SMILES: n1cc(ccc1c1c(ccc(c1)Cl)Cl)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C12H7Cl2NO/c13-9-2-3-11(14)10(5-9)12-4-1-8(7-16)6-15-12/h1-7H
• InChIKey: MNYJMFHINMLBSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-dichlorophenyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(2,5-dichlorophenyl)pyridine-3-carbaldehyde
• Synonyms: 6-(2,5-DICHLORO-PHENYL)-PYRIDINE-3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7087893
• LogD (pH = 7.4): 3.7092352
• Log P: 3.7092407
• Molar Refractivity: 64.8589 cm^3
• Polarizability: 26.012985 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%