(3-fluorophenyl)(pyridin-2-yl)methanol

• ChemBase ID: 267014
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(C(c2ncccc2)O)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(c1ccccn1)O
• InChI: InChI=1S/C12H10FNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8,12,15H
• InChIKey: SWWDFRDACYVBNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorophenyl)(pyridin-2-yl)methanol
• IUPAC Traditional name: (3-fluorophenyl)(pyridin-2-yl)methanol
• Synonyms: (3-fluorophenyl)(pyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD07775216
• PubChem SID: 164322924
• PubChem CID: 23467199

CALCULATED PROPERTIES

• Acid pKa: 12.952233
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1273327
• LogD (pH = 7.4): 2.148548
• Log P: 2.1488268
• Molar Refractivity: 54.7691 cm^3
• Polarizability: 21.127268 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 1.098

Product Information

• Purity: 95%