2,6-dimethyl(1-15N)pyridine

• ChemBase ID: 172437
• Molecular Formular: C7H9N
• Molecular Mass: 108.1464689
• Monoisotopic Mass: 108.07053419
• SMILES: c1c([15n]c(cc1)C)C
• Canonical SMILES: Cc1cccc([15n]1)C
• InChI: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3/i8+1
• InChIKey: OISVCGZHLKNMSJ-VJJZLTLGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl(1-^1^5N)pyridine
• IUPAC Traditional name: 2,6-dimethyl(1-^1^5N)pyridine
• Synonyms: 2,6-Dimethylpyridine-15N; NSC 2155-15N; α,α'-Dimethylpyridine-15N; α,α'-Lutidine-15N; 2,6-Lutidine-15N

Database IDs

• PubChem SID: 164228347
• PubChem CID: 71749858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.00787011
• LogD (pH = 7.4): 0.96252024
• Log P: 1.0183138
• Molar Refractivity: 33.0841 cm^3
• Polarizability: 12.976114 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - L476502

Labelled 2,6-Lutidine (L476500). Isolated from the basic fraction of coal tar. A semi-volatile compound in tobacco.

REFERENCES

• Van den Dool, H., et al.: J. Chromatogr.,11, 463 ( 1963), Radulovic, N., et al.: Phytother. Res., 20, 85 (2006)