2,4-dichloro-3,6-dimethylpyridine

• ChemBase ID: 241491
• Molecular Formular: C7H7Cl2N
• Molecular Mass: 176.04318
• Monoisotopic Mass: 174.99555459
• SMILES: c1(c(c(cc(n1)C)Cl)C)Cl
• Canonical SMILES: Cc1cc(Cl)c(c(n1)Cl)C
• InChI: InChI=1S/C7H7Cl2N/c1-4-3-6(8)5(2)7(9)10-4/h3H,1-2H3
• InChIKey: YGUQXFNMLHUBNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3,6-dimethylpyridine
• IUPAC Traditional name: 2,4-dichloro-3,6-dimethylpyridine
• Synonyms: 2,4-dichloro-3,6-dimethylpyridine

Database IDs

• MDL Number: MFCD11113423
• PubChem SID: 164297401
• PubChem CID: 11084398

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8286052
• LogD (pH = 7.4): 2.8286312
• Log P: 2.8286314
• Molar Refractivity: 44.2047 cm^3
• Polarizability: 16.799253 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.182

Product Information

• Purity: 95%