6-phenylpyridin-3-ol

• ChemBase ID: 245778
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: n1c(c2ccccc2)ccc(c1)O
• Canonical SMILES: Oc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C11H9NO/c13-10-6-7-11(12-8-10)9-4-2-1-3-5-9/h1-8,13H
• InChIKey: UAUCJEGMDDNGCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyridin-3-ol
• IUPAC Traditional name: 6-phenylpyridin-3-ol
• Synonyms: 6-phenylpyridin-3-ol

Database IDs

• MDL Number: MFCD04114186
• PubChem SID: 164301688
• PubChem CID: 2762867

CALCULATED PROPERTIES

• Acid pKa: 9.34749
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4550505
• LogD (pH = 7.4): 2.4798765
• Log P: 2.4850838
• Molar Refractivity: 50.6462 cm^3
• Polarizability: 21.052763 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 174 - 176°C
• Hydrophobicity(logP): 3.03

Product Information

• Purity: 95%