[6-(2-chlorophenyl)pyridin-3-yl]methanol

• ChemBase ID: 811682
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: C(O)c1cnc(cc1)c1c(cccc1)Cl
• Canonical SMILES: OCc1ccc(nc1)c1ccccc1Cl
• InChI: InChI=1S/C12H10ClNO/c13-11-4-2-1-3-10(11)12-6-5-9(8-15)7-14-12/h1-7,15H,8H2
• InChIKey: AASKFMJJTUHRDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2-chlorophenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(2-chlorophenyl)pyridin-3-yl]methanol
• Synonyms: [6-(2-CHLOROPHENYL)PYRIDIN-3-YL]METHANOL

Database IDs

• CAS Number: 887974-37-0

CALCULATED PROPERTIES

• Acid pKa: 14.689552
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6223257
• LogD (pH = 7.4): 2.625306
• Log P: 2.625344
• Molar Refractivity: 60.286 cm^3
• Polarizability: 24.718996 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%