(5-fluoropyridin-2-yl)methanol

• ChemBase ID: 63561
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1c(cnc(c1)CO)F
• Canonical SMILES: OCc1ccc(cn1)F
• InChI: InChI=1S/C6H6FNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
• InChIKey: BKLMFAZXPZQITJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoropyridin-2-yl)methanol
• IUPAC Traditional name: (5-fluoropyridin-2-yl)methanol
• Synonyms: 5-Fluoro-2-hydroxymethyl pyridine; 5-Fluoro-2-hydroxymethylpyridine

Database IDs

• CAS Number: 802325-29-7
• MDL Number: MFCD09027049
• PubChem SID: 162029300
• PubChem CID: 24729312

CALCULATED PROPERTIES

• Acid pKa: 14.198475
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21215834
• LogD (pH = 7.4): 0.21239437
• Log P: 0.21239744
• Molar Refractivity: 30.4112 cm^3
• Polarizability: 11.614278 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%; 95+%