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CAS 892414-49-2

:

1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoromethyl)-, 7-oxide

Description:
1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoromethyl)-, 7-oxide, identified by CAS number 892414-49-2, is a heterocyclic organic compound characterized by its unique bicyclic structure that incorporates both pyrrole and pyridine rings. The presence of a nitro group at the 4-position and a trifluoromethyl group at the 3-position significantly influences its chemical reactivity and physical properties. The 7-oxide designation indicates the presence of an oxygen atom in the ring, which can affect the compound's electron density and overall stability. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents. Its functional groups suggest potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Additionally, the trifluoromethyl group is known to enhance lipophilicity and metabolic stability, making such compounds of interest in medicinal chemistry. Safety data should be consulted for handling, as nitro and trifluoromethyl groups can impart toxicity and environmental concerns.
Formula:C8H4F3N3O3
InChI:InChI=1S/C8H4F3N3O3/c9-8(10,11)4-3-12-7-6(4)5(14(16)17)1-2-13(7)15/h1-3,12H
InChI key:InChIKey=OFDBYGKJZOPJKS-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C=2C(NC1)=N(=O)C=CC2N(=O)=O
Synonyms:
  • 1H-Pyrrolo[2,3-b]pyridine, 4-nitro-3-(trifluoromethyl)-, 7-oxide
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