[6-(4-chlorophenyl)pyridin-3-yl]methanol

• ChemBase ID: 811684
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: C(O)c1cnc(cc1)c1ccc(cc1)Cl
• Canonical SMILES: OCc1ccc(nc1)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H10ClNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-7,15H,8H2
• InChIKey: MMCDJBDKJYYPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-chlorophenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(4-chlorophenyl)pyridin-3-yl]methanol
• Synonyms: [6-(4-CHLOROPHENYL)PYRIDIN-3-YL]METHANOL

Database IDs

• CAS Number: 23148-55-2

CALCULATED PROPERTIES

• Acid pKa: 14.706177
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6120234
• LogD (pH = 7.4): 2.6251736
• Log P: 2.625344
• Molar Refractivity: 60.286 cm^3
• Polarizability: 24.705393 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%