2-(4-hydroxyphenyl)pyridin-3-ol

• ChemBase ID: 188103
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: c1(ncccc1O)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1ncccc1O
• InChI: InChI=1S/C11H9NO2/c13-9-5-3-8(4-6-9)11-10(14)2-1-7-12-11/h1-7,13-14H
• InChIKey: SQHQOOVDJCKSFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)pyridin-3-ol
• IUPAC Traditional name: 2-(4-hydroxyphenyl)pyridin-3-ol

Database IDs

• PubChem SID: 164244013
• PubChem CID: 5407777

CALCULATED PROPERTIES

• Acid pKa: 9.004606
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0500753
• LogD (pH = 7.4): 2.168772
• Log P: 2.1815183
• Molar Refractivity: 52.6271 cm^3
• Polarizability: 21.605185 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds