6-(4-fluorophenyl)pyridin-2-ol

• ChemBase ID: 290848
• Molecular Formular: C11H8FNO
• Molecular Mass: 189.1857232
• Monoisotopic Mass: 189.0589921
• SMILES: Oc1nc(c2ccc(F)cc2)ccc1
• Canonical SMILES: Fc1ccc(cc1)c1cccc(n1)O
• InChI: InChI=1S/C11H8FNO/c12-9-6-4-8(5-7-9)10-2-1-3-11(14)13-10/h1-7H,(H,13,14)
• InChIKey: ZDTZYSZHJGUSLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)pyridin-2-ol
• IUPAC Traditional name: 6-(4-fluorophenyl)pyridin-2-ol
• Synonyms: 6-(4-Fluorophenyl)pyridin-2-ol

Database IDs

• CAS Number: 1111111-04-6
• PubChem SID: 180676379
• PubChem CID: 45788371

CALCULATED PROPERTIES

• Acid pKa: 11.677027
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.222142
• LogD (pH = 7.4): 3.2222192
• Log P: 3.2222433
• Molar Refractivity: 51.1761 cm^3
• Polarizability: 20.63229 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%