2,4-dichloro-6-(trifluoromethyl)pyridine

• ChemBase ID: 815409
• Molecular Formular: C6H2Cl2F3N
• Molecular Mass: 215.9879896
• Monoisotopic Mass: 214.95163909
• SMILES: n1c(cc(cc1C(F)(F)F)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)nc(c1)C(F)(F)F
• InChI: InChI=1S/C6H2Cl2F3N/c7-3-1-4(6(9,10)11)12-5(8)2-3/h1-2H
• InChIKey: BJHUMUZOLTXVSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,4-dichloro-6-(trifluoromethyl)pyridine
• Synonyms: 2,4-dichloro-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 39891-02-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4475386
• LogD (pH = 7.4): 3.4475386
• Log P: 3.4475386
• Molar Refractivity: 40.1737 cm^3
• Polarizability: 14.808858 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%