2,4-dichloro-3,5,6-trimethylpyridine

• ChemBase ID: 82815
• Molecular Formular: C8H9Cl2N
• Molecular Mass: 190.06976
• Monoisotopic Mass: 189.01120465
• SMILES: n1c(c(c(c(c1C)C)Cl)C)Cl
• Canonical SMILES: Cc1c(C)nc(c(c1Cl)C)Cl
• InChI: InChI=1S/C8H9Cl2N/c1-4-6(3)11-8(10)5(2)7(4)9/h1-3H3
• InChIKey: FNOUXTVKTVUSAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3,5,6-trimethylpyridine
• IUPAC Traditional name: 2,4-dichloro-3,5,6-trimethylpyridine
• Synonyms: 2,4-dichloro-3,5,6-trimethylpyridine

Database IDs

• MDL Number: MFCD00209363
• PubChem SID: 162069934
• PubChem CID: 2779139

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.34199
• LogD (pH = 7.4): 3.342052
• Log P: 3.342053
• Molar Refractivity: 49.2459 cm^3
• Polarizability: 18.551142 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true