6-chloro-2,3,4-trimethylpyridine

• ChemBase ID: 309323
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(c(c(cc1Cl)C)C)C
• Canonical SMILES: Clc1cc(C)c(c(n1)C)C
• InChI: InChI=1S/C8H10ClN/c1-5-4-8(9)10-7(3)6(5)2/h4H,1-3H3
• InChIKey: NKSUTZRHLFWMMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 408314-12-5
• MDL Number: MFCD17078867

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7365499
• LogD (pH = 7.4): 2.73799
• Log P: 2.7380083
• Molar Refractivity: 44.4411 cm^3
• Polarizability: 16.644157 Å^3
• Polar Surface Area: 12.89 Å^2