(2-fluoropyridin-4-yl)methanol

• ChemBase ID: 58869
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: C(O)c1cc(ncc1)F
• Canonical SMILES: OCc1ccnc(c1)F
• InChI: InChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
• InChIKey: IAFXOPAZVVMMLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoropyridin-4-yl)methanol
• IUPAC Traditional name: (2-fluoropyridin-4-yl)methanol
• Synonyms: (2-Fluoropyridin-4-yl)methanol

Database IDs

• CAS Number: 131747-60-9
• MDL Number: MFCD06200782
• PubChem SID: 162063632
• PubChem CID: 11332468

CALCULATED PROPERTIES

• Acid pKa: 14.628085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5248561
• LogD (pH = 7.4): 0.5248562
• Log P: 0.5248562
• Molar Refractivity: 31.9481 cm^3
• Polarizability: 11.612614 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%