(6-fluoropyridin-3-yl)methanol

• ChemBase ID: 58874
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: C(O)c1cnc(cc1)F
• Canonical SMILES: OCc1ccc(nc1)F
• InChI: InChI=1S/C6H6FNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
• InChIKey: UCSVYHGEBZQLBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-fluoropyridin-3-yl)methanol
• IUPAC Traditional name: (6-fluoropyridin-3-yl)methanol
• Synonyms: (6-Fluoro-3-pyridinyl)methanol

Database IDs

• CAS Number: 39891-05-9
• MDL Number: MFCD03095186
• PubChem SID: 162063637
• PubChem CID: 22663702

CALCULATED PROPERTIES

• Acid pKa: 14.646746
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.52485615
• LogD (pH = 7.4): 0.5248562
• Log P: 0.5248562
• Molar Refractivity: 31.9481 cm^3
• Polarizability: 11.612979 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: 97%