4-(pyridin-2-yl)phenol

• ChemBase ID: 291357
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: Oc1ccc(c2ncccc2)cc1
• Canonical SMILES: Oc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H
• InChIKey: VQHMPVXKDCHHSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)phenol
• IUPAC Traditional name: 4-(pyridin-2-yl)phenol
• Synonyms: 4-(Pyridin-2-yl)phenol

Database IDs

• CAS Number: 51035-40-6
• MDL Number: MFCD00464189
• PubChem SID: 180676888
• PubChem CID: 5480156

CALCULATED PROPERTIES

• Acid pKa: 9.580395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.441503
• LogD (pH = 7.4): 2.4816573
• Log P: 2.4850838
• Molar Refractivity: 50.6462 cm^3
• Polarizability: 21.050825 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%