4-phenylpyridin-2-ol

• ChemBase ID: 68465
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: c1(cc(ccn1)c1ccccc1)O
• Canonical SMILES: Oc1nccc(c1)c1ccccc1
• InChI: InChI=1S/C11H9NO/c13-11-8-10(6-7-12-11)9-4-2-1-3-5-9/h1-8H,(H,12,13)
• InChIKey: DNUDULSSNHKPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpyridin-2-ol
• IUPAC Traditional name: 4-phenylpyridin-2-ol
• Synonyms: 4-Phenylpyridin-2-ol

Database IDs

• CAS Number: 19006-81-6
• MDL Number: MFCD07437954
• PubChem SID: 162034196
• PubChem CID: 598786

CALCULATED PROPERTIES

• Acid pKa: 11.524144
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.693291
• LogD (pH = 7.4): 2.6936536
• Log P: 2.693691
• Molar Refractivity: 51.3317 cm^3
• Polarizability: 21.05436 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%