2,3-dibromo-6-(trifluoromethyl)pyridine

• ChemBase ID: 98340
• Molecular Formular: C6H2Br2F3N
• Molecular Mass: 304.8899896
• Monoisotopic Mass: 302.85060773
• SMILES: n1c(c(ccc1C(F)(F)F)Br)Br
• Canonical SMILES: Brc1ccc(nc1Br)C(F)(F)F
• InChI: InChI=1S/C6H2Br2F3N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
• InChIKey: ZNXWEXDLRUCUPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,3-dibromo-6-(trifluoromethyl)pyridine
• Synonyms: 2,3-Dibromo-6-(trifluoromethyl)pyridine

Database IDs

• PubChem SID: 162105105
• PubChem CID: 45790562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7622995
• LogD (pH = 7.4): 3.7622995
• Log P: 3.7622995
• Molar Refractivity: 45.5906 cm^3
• Polarizability: 17.266375 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant