5-fluoro-3-phenylpyridin-2-ol

• ChemBase ID: 813864
• Molecular Formular: C11H8FNO
• Molecular Mass: 189.1857232
• Monoisotopic Mass: 189.0589921
• SMILES: n1c(c(cc(c1)F)c1ccccc1)O
• Canonical SMILES: Fc1cnc(c(c1)c1ccccc1)O
• InChI: InChI=1S/C11H8FNO/c12-9-6-10(11(14)13-7-9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
• InChIKey: CFLQGKXJBWTFMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-3-phenylpyridin-2-ol
• IUPAC Traditional name: 5-fluoro-3-phenylpyridin-2-ol
• Synonyms: 5-fluoro-3-phenylpyridin-2-ol

Database IDs

• CAS Number: 1196145-49-9

CALCULATED PROPERTIES

• Acid pKa: 10.927939
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.836391
• LogD (pH = 7.4): 2.8362656
• Log P: 2.8363929
• Molar Refractivity: 51.5481 cm^3
• Polarizability: 20.637505 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%