2-phenylpyridin-3-ol

• ChemBase ID: 816191
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: n1c(c(ccc1)O)c1ccccc1
• Canonical SMILES: Oc1cccnc1c1ccccc1
• InChI: InChI=1S/C11H9NO/c13-10-7-4-8-12-11(10)9-5-2-1-3-6-9/h1-8,13H
• InChIKey: VHRHRMPFHJXSNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyridin-3-ol
• IUPAC Traditional name: 2-phenylpyridin-3-ol
• Synonyms: 3-HYDROXY-2-PHENYLPYRIDINE

Database IDs

• CAS Number: 3308/2/9

CALCULATED PROPERTIES

• Acid pKa: 9.154874
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3793952
• LogD (pH = 7.4): 2.4759572
• Log P: 2.4850838
• Molar Refractivity: 50.6462 cm^3
• Polarizability: 21.057636 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%