6-(2,5-difluorophenyl)pyridin-3-ol

• ChemBase ID: 290936
• Molecular Formular: C11H7F2NO
• Molecular Mass: 207.1761864
• Monoisotopic Mass: 207.04957029
• SMILES: Oc1ccc(c2cc(F)ccc2F)nc1
• Canonical SMILES: Oc1ccc(nc1)c1cc(F)ccc1F
• InChI: InChI=1S/C11H7F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(15)6-14-11/h1-6,15H
• InChIKey: DHAHVVVYUYYBNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,5-difluorophenyl)pyridin-3-ol
• IUPAC Traditional name: 6-(2,5-difluorophenyl)pyridin-3-ol
• Synonyms: 6-(2,5-Difluorophenyl)pyridin-3-ol

Database IDs

• CAS Number: 1261937-03-4
• PubChem SID: 180676467
• PubChem CID: 53229292

CALCULATED PROPERTIES

• Acid pKa: 9.043332
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7676902
• LogD (pH = 7.4): 2.7608716
• Log P: 2.7704875
• Molar Refractivity: 51.079 cm^3
• Polarizability: 20.314226 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%