[6-(4-fluorophenyl)pyridin-3-yl]methanol

• ChemBase ID: 811678
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: n1cc(ccc1c1ccc(cc1)F)CO
• Canonical SMILES: OCc1ccc(nc1)c1ccc(cc1)F
• InChI: InChI=1S/C12H10FNO/c13-11-4-2-10(3-5-11)12-6-1-9(8-15)7-14-12/h1-7,15H,8H2
• InChIKey: HRJSEQHITGOQTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-fluorophenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(4-fluorophenyl)pyridin-3-yl]methanol
• Synonyms: 6-(4-FLUOROPHENYL)-3-(HYDROXYMETHYL)PYRIDINE

Database IDs

• CAS Number: 135958-92-8

CALCULATED PROPERTIES

• Acid pKa: 14.708501
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1488247
• LogD (pH = 7.4): 2.1638067
• Log P: 2.1640012
• Molar Refractivity: 55.6976 cm^3
• Polarizability: 22.480698 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%