CAS 1299607-57-0

1,1-Dimethylethyl 5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

Description:

1,1-Dimethylethyl 5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate is a chemical compound characterized by its unique structure, which includes a pyrazolo[3,4-b]pyridine core substituted with an iodine atom and an ester functional group. The presence of the 1,1-dimethylethyl group contributes to its steric bulk, potentially influencing its reactivity and interactions with biological targets. This compound may exhibit properties typical of heterocyclic compounds, such as potential biological activity, making it of interest in medicinal chemistry. The iodine substituent can enhance the compound's lipophilicity and may also play a role in its pharmacological properties. Additionally, the carboxylate group suggests that it could participate in various chemical reactions, including esterification and nucleophilic substitutions. Overall, the combination of these structural features may render this compound useful in research and development, particularly in the fields of pharmaceuticals and agrochemicals. However, specific applications and biological activities would require further investigation through experimental studies.

Formula: C₁₁H₁₂IN₃O₂

InChI: InChI=1S/C11H12IN3O2/c1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9/h4-6H,1-3H3

InChI key: InChIKey=OEWBCEOBCVBANN-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=N1)=CC(I)=CN2

Synonyms:

• 1H-Pyrazolo[3,4-b]pyridine-1-carboxylic acid, 5-iodo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 5-iodo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate