2,6-dichloro-3-(trichloromethyl)pyridine

• ChemBase ID: 80328
• Molecular Formular: C6H2Cl5N
• Molecular Mass: 265.35178
• Monoisotopic Mass: 262.86298747
• SMILES: n1c(c(ccc1Cl)C(Cl)(Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)C(Cl)(Cl)Cl
• InChI: InChI=1S/C6H2Cl5N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
• InChIKey: XLZHJPALXIYDGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-(trichloromethyl)pyridine
• IUPAC Traditional name: 2,6-dichloro-3-(trichloromethyl)pyridine
• Synonyms: 2,6-dichloro-3-(trichloromethyl)pyridine

Database IDs

• MDL Number: MFCD00185759
• PubChem SID: 162067448
• PubChem CID: 108701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9019253
• LogD (pH = 7.4): 3.9019253
• Log P: 3.9019253
• Molar Refractivity: 56.1114 cm^3
• Polarizability: 20.976492 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true