6-(2-chlorophenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811467
• Molecular Formular: C12H8ClNO
• Molecular Mass: 217.65102
• Monoisotopic Mass: 217.02944156
• SMILES: c1cc(nc(c1)C=O)c1c(cccc1)Cl
• Canonical SMILES: O=Cc1cccc(n1)c1ccccc1Cl
• InChI: InChI=1S/C12H8ClNO/c13-11-6-2-1-5-10(11)12-7-3-4-9(8-15)14-12/h1-8H
• InChIKey: LSZKBPRWWCRMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chlorophenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(2-chlorophenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(2-CHLOROPHENYL)PICOLINALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.779516
• LogD (pH = 7.4): 3.7797363
• Log P: 3.7797391
• Molar Refractivity: 59.6689 cm^3
• Polarizability: 24.162497 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%