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CAS 928653-77-4

:

1,1-Dimethylethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Description:
1,1-Dimethylethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate, with the CAS number 928653-77-4, is a chemical compound characterized by its unique structure, which includes a pyrrolopyridine core and a carboxylate functional group. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its biological activity and solubility. The presence of a fluorine atom at the 5-position of the pyrrolopyridine ring can significantly affect the compound's electronic properties and reactivity, often enhancing its potency in biological systems. The carboxylate group may participate in various chemical reactions, including esterification and salt formation. This compound is of interest in medicinal chemistry and drug development due to its potential pharmacological properties. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its stability and reactivity would be influenced by the specific functional groups present in its structure. Overall, this compound represents a class of heterocyclic compounds that may exhibit diverse biological activities.
Formula:C12H13FN2O2
InChI:InChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h4-7H,1-3H3
InChI key:InChIKey=HKZLVKNLNVZTAQ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1)=CC(F)=CN2
Synonyms:
  • 1,1-Dimethylethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
  • 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-fluoro-, 1,1-dimethylethyl ester
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