(4-chlorophenyl)(pyridin-2-yl)methanol

• ChemBase ID: 88498
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: n1c(cccc1)C(c1ccc(cc1)Cl)O
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccn1)O
• InChI: InChI=1S/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H
• InChIKey: ZFUPOFQRQNJDNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(pyridin-2-yl)methanol
• IUPAC Traditional name: (4-chlorophenyl)(pyridin-2-yl)methanol
• Synonyms: α-(4-Chlorophenyl)-2-pyridinemethanol; NSC 31264; NSC 47970; 4-Chlorophenyl-2-pyridinylmethanol; (4-Chlorophenyl)(pyridin-2-yl)methanol; 4-Chloro-alpha-(pyridin-2-yl)benzyl alcohol; 2-[(4-Chlorophenyl)(hydroxy)methyl]pyridine

Database IDs

• CAS Number: 27652-89-7
• PubChem SID: 162075444
• PubChem CID: 97719

CALCULATED PROPERTIES

• Acid pKa: 13.03347
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5886734
• LogD (pH = 7.4): 2.6098907
• Log P: 2.6101696
• Molar Refractivity: 59.3575 cm^3
• Polarizability: 23.332308 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chlorofrom; DMSO; Methanol
• Apperance: Off-White to Gray Solid
• Melting Point: 78-80°C; 78-80°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Harmful/Irritant/Keep Cold