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CAS 916325-84-3

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1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-bromo-, methyl ester

Description:
1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-bromo-, methyl ester is a chemical compound characterized by its pyrazolo-pyridine core structure, which features a fused bicyclic system. This compound contains a carboxylic acid functional group that has been esterified with a methyl group, enhancing its solubility and reactivity. The presence of a bromine atom at the 5-position of the pyrazolo ring introduces additional reactivity and can influence the compound's biological activity. Typically, compounds of this class are of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory and anticancer activities. The molecular structure contributes to its unique chemical properties, making it a subject of research in various fields, including drug development and synthetic chemistry. Its CAS number, 916325-84-3, serves as a unique identifier for regulatory and safety information. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity or reactivity.
Formula:C8H6BrN3O2
InChI:InChI=1S/C8H6BrN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
InChI key:InChIKey=NWAGLGKQKQZPHF-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(NN1)=NC=C(Br)C2
Synonyms:
  • 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid, 5-bromo-, methyl ester
  • Methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
  • Ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate
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