[5-(4-fluorophenyl)pyridin-3-yl]methanol

• ChemBase ID: 797632
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: C(O)c1cncc(c1)c1ccc(cc1)F
• Canonical SMILES: OCc1cncc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C12H10FNO/c13-12-3-1-10(2-4-12)11-5-9(8-15)6-14-7-11/h1-7,15H,8H2
• InChIKey: AGTFTHJYSZRWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(4-fluorophenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(4-fluorophenyl)pyridin-3-yl]methanol
• Synonyms: (5-(4-Fluorophenyl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 222551-22-6

CALCULATED PROPERTIES

• Acid pKa: 14.657521
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7521377
• LogD (pH = 7.4): 1.7778112
• Log P: 1.7781509
• Molar Refractivity: 56.0696 cm^3
• Polarizability: 22.479347 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%