(3-fluoropyridin-2-yl)methanol

• ChemBase ID: 61586
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1(ncccc1F)CO
• Canonical SMILES: OCc1ncccc1F
• InChI: InChI=1S/C6H6FNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
• InChIKey: FKTCIWBKNWUDAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluoropyridin-2-yl)methanol
• IUPAC Traditional name: (3-fluoropyridin-2-yl)methanol
• Synonyms: (3-fluoropyrid-2-yl)methanol; (3-Fluoropyridin-2-yl)methanol

Database IDs

• CAS Number: 31181-79-0
• MDL Number: MFCD09025826
• PubChem SID: 162027327
• PubChem CID: 19703803

CALCULATED PROPERTIES

• Acid pKa: 13.759579
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21212587
• LogD (pH = 7.4): 0.21239384
• Log P: 0.21239744
• Molar Refractivity: 30.4112 cm^3
• Polarizability: 11.614034 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; Tech