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CAS 1146221-86-4

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1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Description:
1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is a chemical compound characterized by its complex structure, which includes a pyrrolopyridine core. This compound features a tert-butyl group (1,1-dimethylethyl) and a trifluoromethyl group, contributing to its unique physical and chemical properties. The presence of the carbonitrile functional group indicates potential reactivity, particularly in nucleophilic addition reactions. The trifluoromethyl group enhances lipophilicity and can influence the compound's biological activity, making it of interest in pharmaceutical research. Additionally, the compound's molecular structure suggests it may exhibit specific interactions with biological targets, which could be relevant in drug development. Its CAS number, 1146221-86-4, allows for precise identification and retrieval of information regarding its safety, handling, and regulatory status. Overall, this compound's distinctive features make it a subject of interest in various fields, including medicinal chemistry and materials science.
Formula:C13H12F3N3
InChI:InChI=1S/C13H12F3N3/c1-12(2,3)19-7-8(6-17)10-9(13(14,15)16)4-5-18-11(10)19/h4-5,7H,1-3H3
InChI key:InChIKey=MZYMBYQKJOGFEE-UHFFFAOYSA-N
SMILES:C(#N)C=1C=2C(N(C(C)(C)C)C1)=NC=CC2C(F)(F)F
Synonyms:
  • 1-tert-Butyl-4-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
  • 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-4-(trifluoromethyl)-
  • 1-tert-Butyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
  • 1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
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