[6-(3-fluorophenyl)pyridin-3-yl]methanol

• ChemBase ID: 811677
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: C(O)c1cnc(cc1)c1cc(ccc1)F
• Canonical SMILES: OCc1ccc(nc1)c1cccc(c1)F
• InChI: InChI=1S/C12H10FNO/c13-11-3-1-2-10(6-11)12-5-4-9(8-15)7-14-12/h1-7,15H,8H2
• InChIKey: ISRNPAKQMAALGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(3-fluorophenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(3-fluorophenyl)pyridin-3-yl]methanol
• Synonyms: [6-(3-FLUOROPHENYL)PYRIDIN-3-YL]METHANOL

Database IDs

• CAS Number: 887974-66-5

CALCULATED PROPERTIES

• Acid pKa: 14.701295
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1537943
• LogD (pH = 7.4): 2.163871
• Log P: 2.1640012
• Molar Refractivity: 55.6976 cm^3
• Polarizability: 22.48344 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%