(6-fluoropyridin-2-yl)methanol

• ChemBase ID: 294772
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: OCc1nc(F)ccc1
• Canonical SMILES: OCc1cccc(n1)F
• InChI: InChI=1S/C6H6FNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
• InChIKey: OWTCZNAMUJIMOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoropyridin-2-yl)methanol
• IUPAC Traditional name: (6-fluoropyridin-2-yl)methanol
• Synonyms: (6-Fluoropyridin-2-yl)-methanol

Database IDs

• CAS Number: 315180-17-7
• MDL Number: MFCD07783827
• PubChem SID: 180680303
• PubChem CID: 12045263

CALCULATED PROPERTIES

• Acid pKa: 14.170321
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60632807
• LogD (pH = 7.4): 0.60632807
• Log P: 0.6063281
• Molar Refractivity: 31.4259 cm^3
• Polarizability: 11.613967 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%