2-ethyl-6-methylpyridine

• ChemBase ID: 79721
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: n1c(cccc1C)CC
• Canonical SMILES: CCc1cccc(n1)C
• InChI: InChI=1S/C8H11N/c1-3-8-6-4-5-7(2)9-8/h4-6H,3H2,1-2H3
• InChIKey: SFSXNVBMAODLGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methylpyridine
• IUPAC Traditional name: pyridine, 2-ethyl-6-methyl-
• Synonyms: 2-ethyl-6-methylpyridine

Database IDs

• CAS Number: 1122-69-6
• MDL Number: MFCD00023531
• PubChem SID: 162044484
• PubChem CID: 14287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8341392
• LogD (pH = 7.4): 1.6808975
• Log P: 1.7188495
• Molar Refractivity: 37.711 cm^3
• Polarizability: 14.822107 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true