[5-(2-methylphenyl)pyridin-3-yl]methanol

• ChemBase ID: 795883
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: C(O)c1cncc(c1)c1c(cccc1)C
• Canonical SMILES: OCc1cncc(c1)c1ccccc1C
• InChI: InChI=1S/C13H13NO/c1-10-4-2-3-5-13(10)12-6-11(9-15)7-14-8-12/h2-8,15H,9H2,1H3
• InChIKey: OSBFUNHGMDQAAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-methylphenyl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(2-methylphenyl)pyridin-3-yl]methanol
• Synonyms: (5-(o-Tolyl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 887974-27-8

CALCULATED PROPERTIES

• Acid pKa: 14.6558695
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1236448
• LogD (pH = 7.4): 2.1485412
• Log P: 2.1488705
• Molar Refractivity: 60.8944 cm^3
• Polarizability: 24.673151 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%