(5-fluoropyridin-3-yl)methanol

• ChemBase ID: 63596
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1(cc(cnc1)F)CO
• Canonical SMILES: OCc1cc(F)cnc1
• InChI: InChI=1S/C6H6FNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
• InChIKey: GGGJYJXAFSEWNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoropyridin-3-yl)methanol
• IUPAC Traditional name: (5-fluoropyridin-3-yl)methanol
• Synonyms: (5-Fluoro-3-pyridyl)methanol

Database IDs

• CAS Number: 22620-32-2
• MDL Number: MFCD01758680
• PubChem SID: 162029335
• PubChem CID: 152449

CALCULATED PROPERTIES

• Acid pKa: 14.518757
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.13068137
• LogD (pH = 7.4): 0.13092245
• Log P: 0.13092555
• Molar Refractivity: 30.9334 cm^3
• Polarizability: 11.613212 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%