2-(pyridin-3-yloxy)phenol

• ChemBase ID: 246319
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: c1(Oc2cnccc2)c(O)cccc1
• Canonical SMILES: Oc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C11H9NO2/c13-10-5-1-2-6-11(10)14-9-4-3-7-12-8-9/h1-8,13H
• InChIKey: UYNVVPDSANQDGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD23144281
• PubChem SID: 164302229
• PubChem CID: 23728713

CALCULATED PROPERTIES

• Acid pKa: 8.440204
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9058266
• LogD (pH = 7.4): 1.9140518
• Log P: 1.9522953
• Molar Refractivity: 52.1228 cm^3
• Polarizability: 20.360725 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.826

Product Information

• Purity: 95%