2-chloro-4,6-dimethylpyridine

• ChemBase ID: 69830
• Molecular Formular: C7H8ClN
• Molecular Mass: 141.59812
• Monoisotopic Mass: 141.03452694
• SMILES: c1(cc(cc(n1)C)C)Cl
• Canonical SMILES: Cc1cc(C)nc(c1)Cl
• InChI: InChI=1S/C7H8ClN/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
• InChIKey: COVGXNSRDOYAJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethylpyridine
• IUPAC Traditional name: 2-chloro-4,6-dimethylpyridine
• Synonyms: 2-Chloro-4,6-dimethylpyridine

Database IDs

• CAS Number: 30838-93-8
• MDL Number: MFCD08277279
• PubChem SID: 162035555
• PubChem CID: 12508378

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2239614
• LogD (pH = 7.4): 2.2245789
• Log P: 2.2245867
• Molar Refractivity: 39.3999 cm^3
• Polarizability: 14.884448 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%