2-methoxy-6-(4-methylphenyl)pyridine

• ChemBase ID: 290838
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: Cc1ccc(c2cccc(OC)n2)cc1
• Canonical SMILES: COc1cccc(n1)c1ccc(cc1)C
• InChI: InChI=1S/C13H13NO/c1-10-6-8-11(9-7-10)12-4-3-5-13(14-12)15-2/h3-9H,1-2H3
• InChIKey: ZBVRAXSEDWSMAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(4-methylphenyl)pyridine
• IUPAC Traditional name: 2-methoxy-6-(4-methylphenyl)pyridine
• Synonyms: 2-Methoxy-6-(p-tolyl)pyridine

Database IDs

• CAS Number: 1039775-38-6
• PubChem SID: 180676369
• PubChem CID: 54758828

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7385013
• LogD (pH = 7.4): 3.7388523
• Log P: 3.7388568
• Molar Refractivity: 60.4832 cm^3
• Polarizability: 24.74546 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%