CAS 679392-22-4

1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 6-chloro-2,3-dihydro-, 1,1-dimethylethyl ester

Description:

1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 6-chloro-2,3-dihydro-, 1,1-dimethylethyl ester, with CAS number 679392-22-4, is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrole and pyridine moiety. This compound features a carboxylic acid functional group that is esterified with a tert-butyl group, contributing to its lipophilicity and potential biological activity. The presence of a chlorine atom at the 6-position of the pyridine ring may influence its reactivity and interaction with biological targets. Typically, such compounds are of interest in medicinal chemistry due to their potential pharmacological properties, including anti-inflammatory or anticancer activities. The compound's solubility, stability, and reactivity can be influenced by the presence of the chlorine substituent and the tert-butyl ester group. As with many heterocyclic compounds, its synthesis and characterization would involve standard organic chemistry techniques, and it may be evaluated for its efficacy in various biological assays.

Formula: C₁₂H₁₅ClN₂O₂

InChI: InChI=1S/C12H15ClN2O2/c1-12(2,3)17-11(16)15-7-6-8-4-5-9(13)14-10(8)15/h4-5H,6-7H2,1-3H3

InChI key: InChIKey=BQUKKNXFPQIXQA-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(=CC=C(Cl)N2)CC1

Synonyms:

• 1,1-Dimethylethyl 6-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
• 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 6-chloro-2,3-dihydro-, 1,1-dimethylethyl ester

tert-Butyl 6-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate

CAS: 679392-22-4

Versatile small molecule scaffold

Formula: C₁₂H₁₅ClN₂O₂

Purity: Min. 95%

Molecular weight: 254.71 g/mol

Ref: 3D-ECB39222