2-(pyridin-2-yl)phenol

• ChemBase ID: 288870
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: Oc1ccccc1c1ncccc1
• Canonical SMILES: Oc1ccccc1c1ccccn1
• InChI: InChI=1S/C11H9NO/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10/h1-8,13H
• InChIKey: HPDNGBIRSIWOST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33421-36-2
• MDL Number: MFCD18072507
• PubChem SID: 180674401
• PubChem CID: 12503673

CALCULATED PROPERTIES

• Acid pKa: 8.504736
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4780576
• LogD (pH = 7.4): 2.4523425
• Log P: 2.4850838
• Molar Refractivity: 50.6462 cm^3
• Polarizability: 21.057226 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%