3-(pyridin-2-yloxy)phenol

• ChemBase ID: 254148
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: c1(ncccc1)Oc1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C11H9NO2/c13-9-4-3-5-10(8-9)14-11-6-1-2-7-12-11/h1-8,13H
• InChIKey: FSPDNMWLDGIQLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-2-yloxy)phenol
• IUPAC Traditional name: 3-(pyridin-2-yloxy)phenol
• Synonyms: 3-(pyridin-2-yloxy)phenol

Database IDs

• MDL Number: MFCD09802079
• PubChem SID: 164310058
• PubChem CID: 20455777

CALCULATED PROPERTIES

• Acid pKa: 9.060932
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5465174
• LogD (pH = 7.4): 2.5374315
• Log P: 2.5467527
• Molar Refractivity: 52.4363 cm^3
• Polarizability: 20.361952 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 2.076

Product Information

• Purity: 95%