(4-fluorophenyl)(pyridin-4-yl)methanol

• ChemBase ID: 266429
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: C(c1ccc(cc1)F)(c1ccncc1)O
• Canonical SMILES: Fc1ccc(cc1)C(c1ccncc1)O
• InChI: InChI=1S/C12H10FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8,12,15H
• InChIKey: DKEGHLJMSDFYLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840639
• PubChem SID: 164322339
• PubChem CID: 11356156

CALCULATED PROPERTIES

• Acid pKa: 13.553082
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8139461
• LogD (pH = 7.4): 1.9136887
• Log P: 1.9151658
• Molar Refractivity: 55.2162 cm^3
• Polarizability: 21.125849 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.098

Product Information

• Purity: 95%