[5-(6-methylpyridin-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 796892
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: C(O)c1cc(c2nc(ccc2)C)cnc1
• Canonical SMILES: OCc1cncc(c1)c1cccc(n1)C
• InChI: InChI=1S/C12H12N2O/c1-9-3-2-4-12(14-9)11-5-10(8-15)6-13-7-11/h2-7,15H,8H2,1H3
• InChIKey: RDRQTXSKFDMMQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(6-methylpyridin-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(6-methylpyridin-2-yl)pyridin-3-yl]methanol
• Synonyms: (6-Methyl-[2,3'-bipyridin]-5'-yl)Methanol

Database IDs

• CAS Number: 1346686-84-7

CALCULATED PROPERTIES

• Acid pKa: 14.592564
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8623733
• LogD (pH = 7.4): 0.9340048
• Log P: 0.934997
• Molar Refractivity: 57.9158 cm^3
• Polarizability: 23.736227 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%