3,4,5-trichloro-2-methylpyridine

• ChemBase ID: 799262
• Molecular Formular: C6H4Cl3N
• Molecular Mass: 196.46166
• Monoisotopic Mass: 194.94093217
• SMILES: n1c(c(c(c(c1)Cl)Cl)Cl)C
• Canonical SMILES: Clc1cnc(c(c1Cl)Cl)C
• InChI: InChI=1S/C6H4Cl3N/c1-3-5(8)6(9)4(7)2-10-3/h2H,1H3
• InChIKey: WRWOWHPVSGZEIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trichloro-2-methylpyridine
• IUPAC Traditional name: 3,4,5-trichloro-2-methylpyridine
• Synonyms: 3,4,5-Trichloro-2-methyl-pyridine

Database IDs

• CAS Number: 1187932-77-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6990042
• LogD (pH = 7.4): 2.6990767
• Log P: 2.6990776
• Molar Refractivity: 42.907 cm^3
• Polarizability: 17.020073 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%