phenyl(pyridin-2-yl)methanol

• ChemBase ID: 113243
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: C(c1ncccc1)(c1ccccc1)O
• Canonical SMILES: OC(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C12H11NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,12,14H
• InChIKey: UYESUYBXKHPUDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(pyridin-2-yl)methanol
• IUPAC Traditional name: phenyl-A-pyridylcarbinol
• Synonyms: Phenyl-pyridin-2-yl-methanol; phenyl(pyridin-2-yl)methanol

Database IDs

• CAS Number: 14159-57-0
• MDL Number: MFCD00186514
• PubChem SID: 162097806
• PubChem CID: 315585

CALCULATED PROPERTIES

• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.075423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9846286
• LogD (pH = 7.4): 2.005846
• Log P: 2.006125
• Molar Refractivity: 54.5527 cm^3
• Polarizability: 21.48955 Å^3

PROPERTIES

Physical Property

• Partition Coefficient: 2.022
• Hydrophobicity(logP): 0.955

Product Information

• Purity: 95%; 95+%