[3-(pyridin-2-yloxy)phenyl]methanol

• ChemBase ID: 101316
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1(ncccc1)Oc1cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C12H11NO2/c14-9-10-4-3-5-11(8-10)15-12-6-1-2-7-13-12/h1-8,14H,9H2
• InChIKey: BXCKKTGCZQDZBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(pyridin-2-yloxy)phenyl]methanol
• IUPAC Traditional name: [3-(pyridin-2-yloxy)phenyl]methanol
• Synonyms: [3-(pyrid-2-yloxy)phenyl]methanol

Database IDs

• CAS Number: 869901-22-4
• MDL Number: MFCD09025855
• PubChem SID: 162087978
• PubChem CID: 23082910

CALCULATED PROPERTIES

• Acid pKa: 14.896801
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.08285
• LogD (pH = 7.4): 2.0829668
• Log P: 2.0829682
• Molar Refractivity: 57.2713 cm^3
• Polarizability: 22.21368 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%