(4-chlorophenyl)(pyridin-3-yl)methanol

• ChemBase ID: 271722
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: C(c1cnccc1)(c1ccc(cc1)Cl)O
• Canonical SMILES: Clc1ccc(cc1)C(c1cccnc1)O
• InChI: InChI=1S/C12H10ClNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8,12,15H
• InChIKey: CQZLNPXEFGITEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(pyridin-3-yl)methanol
• IUPAC Traditional name: (4-chlorophenyl)(pyridin-3-yl)methanol
• Synonyms: (4-chlorophenyl)(pyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD03076148
• PubChem SID: 164327632
• PubChem CID: 240724

CALCULATED PROPERTIES

• Acid pKa: 13.465537
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3230226
• LogD (pH = 7.4): 2.3757813
• Log P: 2.3765085
• Molar Refractivity: 59.8046 cm^3
• Polarizability: 23.331215 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 1.668

Product Information

• Purity: 95%