CAS 885521-03-9
:Methyl 3-bromo-4-nitro-1H-indazole-6-carboxylate
Description:
Methyl 3-bromo-4-nitro-1H-indazole-6-carboxylate is a chemical compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a bromine atom at the 3-position and a nitro group at the 4-position contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The carboxylate group at the 6-position, along with the methyl ester functionality, enhances its solubility and reactivity, making it a versatile intermediate for further chemical transformations. This compound may exhibit biological activity, which is often explored in drug discovery contexts. Its molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can influence its behavior in biological systems. As with many halogenated and nitro-substituted compounds, it is essential to handle this substance with care due to potential toxicity and environmental impact.
Formula:C9H6BrN3O4
InChI:InChI=1S/C9H6BrN3O4/c1-17-9(14)4-2-5-7(8(10)12-11-5)6(3-4)13(15)16/h2-3H,1H3,(H,11,12)
InChI key:InChIKey=HRBWBPNNDZJPGW-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C2C(=CC(C(OC)=O)=C1)NN=C2Br
Synonyms:- 1H-Indazole-6-carboxylic acid, 3-bromo-4-nitro-, methyl ester
- Methyl 3-bromo-4-nitro-1H-indazole-6-carboxylate
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