(2-fluoropyridin-3-yl)methanol

• ChemBase ID: 293538
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: OCc1cccnc1F
• Canonical SMILES: OCc1cccnc1F
• InChI: InChI=1S/C6H6FNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
• InChIKey: CMAIZPVYDZEAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoropyridin-3-yl)methanol
• IUPAC Traditional name: (2-fluoropyridin-3-yl)methanol
• Synonyms: 2-Fluoro-3-(hydroxymethyl)pyridine

Database IDs

• CAS Number: 131747-55-2
• MDL Number: MFCD03092920
• PubChem SID: 180679069
• PubChem CID: 14761461

CALCULATED PROPERTIES

• Acid pKa: 14.195392
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.52485615
• LogD (pH = 7.4): 0.52485615
• Log P: 0.5248562
• Molar Refractivity: 31.9481 cm^3
• Polarizability: 11.612695 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%