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

• ChemBase ID: 51064
• Molecular Formular: C6HBrCl2F3N
• Molecular Mass: 294.8840496
• Monoisotopic Mass: 292.86215106
• SMILES: c1(c(c(cc(n1)C(F)(F)F)Cl)Br)Cl
• Canonical SMILES: Clc1cc(nc(c1Br)Cl)C(F)(F)F
• InChI: InChI=1S/C6HBrCl2F3N/c7-4-2(8)1-3(6(10,11)12)13-5(4)9/h1H
• InChIKey: SWRQXBKMDSJSHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,4-dichloro-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 3-bromo-2,4-dichloro-6-(trifluoromethyl)pyridine
• Synonyms: 3-Bromo-2,4-dichloro-6-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD14708274
• PubChem SID: 162055827
• PubChem CID: 46317982

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2162914
• LogD (pH = 7.4): 4.2162914
• Log P: 4.2162914
• Molar Refractivity: 47.7965 cm^3
• Polarizability: 18.072956 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%