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CAS 1260672-86-3

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3-Pyridinecarboxylic acid, 2-(bromomethyl)-5-(trifluoromethyl)-, methyl ester

Description:
3-Pyridinecarboxylic acid, 2-(bromomethyl)-5-(trifluoromethyl)-, methyl ester, identified by CAS number 1260672-86-3, is a chemical compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a carboxylic acid functional group, which is esterified with a methyl group, indicating it is a methyl ester. The presence of a bromomethyl group suggests that there is a bromine atom attached to a carbon adjacent to the nitrogen in the pyridine ring, while the trifluoromethyl group indicates the presence of three fluorine atoms attached to a carbon, enhancing the compound's lipophilicity and potentially influencing its reactivity and biological activity. The combination of these functional groups suggests that this compound may exhibit interesting chemical properties, including potential applications in pharmaceuticals or agrochemicals. Its unique structure may also contribute to specific interactions in biological systems, making it a subject of interest in medicinal chemistry and material science.
Formula:C9H7BrF3NO2
InChI:InChI=1S/C9H7BrF3NO2/c1-16-8(15)6-2-5(9(11,12)13)4-14-7(6)3-10/h2,4H,3H2,1H3
InChI key:InChIKey=KGLBEAMWUSMNDL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(CBr)N=CC(C(F)(F)F)=C1
Synonyms:
  • Methyl 2-(bromomethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
  • 3-Pyridinecarboxylic acid, 2-(bromomethyl)-5-(trifluoromethyl)-, methyl ester
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