2-fluoro-5-methylpyridin-3-ol

• ChemBase ID: 98191
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: n1c(c(cc(c1)C)O)F
• Canonical SMILES: Cc1cnc(c(c1)O)F
• InChI: InChI=1S/C6H6FNO/c1-4-2-5(9)6(7)8-3-4/h2-3,9H,1H3
• InChIKey: QGARNFBBEGRKKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methylpyridin-3-ol
• IUPAC Traditional name: 2-fluoro-5-methylpyridin-3-ol
• Synonyms: 2-Fluoro-5-methylpyridin-3-ol; 6-Fluoro-5-hydroxy-3-picoline; 2-Fluoro-3-hydroxy-5-methylpyridine

Database IDs

• CAS Number: 1184172-53-9
• PubChem SID: 162084646
• PubChem CID: 69018881

CALCULATED PROPERTIES

• Acid pKa: 7.8222117
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5000453
• LogD (pH = 7.4): 1.3664837
• Log P: 1.5020621
• Molar Refractivity: 32.1543 cm^3
• Polarizability: 11.535181 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon