2-(pyridin-2-yloxy)phenol

• ChemBase ID: 266492
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: O(c1c(O)cccc1)c1ncccc1
• Canonical SMILES: Oc1ccccc1Oc1ccccn1
• InChI: InChI=1S/C11H9NO2/c13-9-5-1-2-6-10(9)14-11-7-3-4-8-12-11/h1-8,13H
• InChIKey: XWBHCJMXMDVYLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00128570
• PubChem SID: 164322402
• PubChem CID: 3015826

CALCULATED PROPERTIES

• Acid pKa: 8.33618
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5460217
• LogD (pH = 7.4): 2.4995053
• Log P: 2.5467527
• Molar Refractivity: 52.4363 cm^3
• Polarizability: 20.3634 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112°C
• Hydrophobicity(logP): 1.826

Product Information

• Purity: 95%