2-chloro-4,6-bis(trifluoromethyl)pyridine

• ChemBase ID: 815864
• Molecular Formular: C7H2ClF6N
• Molecular Mass: 249.5408992
• Monoisotopic Mass: 248.97799607
• SMILES: n1c(cc(cc1C(F)(F)F)C(F)(F)F)Cl
• Canonical SMILES: Clc1cc(cc(n1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H2ClF6N/c8-5-2-3(6(9,10)11)1-4(15-5)7(12,13)14/h1-2H
• InChIKey: PZJLRLKOOIIRNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-bis(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-4,6-bis(trifluoromethyl)pyridine
• Synonyms: 2-CHLORO-4,6-BIS(TRIFLUOROMETHYL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7213426
• LogD (pH = 7.4): 3.7213426
• Log P: 3.7213426
• Molar Refractivity: 41.3426 cm^3
• Polarizability: 14.574415 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%