CAS 1315577-17-3

3-Iodo-1-methyl-5-nitro-1H-indazole

Description:

3-Iodo-1-methyl-5-nitro-1H-indazole 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 an iodine atom at the 3-position and a nitro group at the 5-position contributes to its unique reactivity and potential applications in medicinal chemistry. The methyl group at the 1-position enhances its lipophilicity, which may influence its biological activity and solubility. This compound is typically synthesized through specific organic reactions that introduce the iodine and nitro substituents onto the indazole framework. Its properties, such as melting point, solubility, and spectral characteristics (like NMR and IR), are essential for identifying and characterizing the compound in laboratory settings. Additionally, due to the presence of the nitro group, it may exhibit interesting electronic properties and potential use in various chemical reactions or as a precursor in the synthesis of more complex molecules.

Formula: C₈H₆IN₃O₂

InChI: InChI=1S/C8H6IN3O2/c1-11-7-3-2-5(12(13)14)4-6(7)8(9)10-11/h2-4H,1H3

InChI key: InChIKey=PWYBPNMCKJCWAW-UHFFFAOYSA-N

SMILES: IC=1C=2C(N(C)N1)=CC=C(N(=O)=O)C2

Synonyms:

• 3-Iodo-1-methyl-5-nitro-1H-indazole
• 3-Iodo-1-methyl-5-nitroindazole
• 1H-Indazole, 3-iodo-1-methyl-5-nitro-