CAS 944904-31-8

3-Iodo-1H-[1,3]dioxolo[4,5-f]indazole

Description:

3-Iodo-1H-[1,3]dioxolo[4,5-f]indazole is a heterocyclic compound characterized by its unique structural features, which include an indazole core fused with a dioxole moiety. This compound contains an iodine atom at the 3-position of the indazole ring, which can influence its reactivity and biological activity. The presence of the dioxole ring contributes to its stability and potential for forming various interactions, such as hydrogen bonding and π-π stacking. Typically, compounds of this nature may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The iodine substituent can enhance lipophilicity and may also play a role in the compound's mechanism of action in biological systems. Additionally, the compound's synthesis and characterization often involve techniques such as NMR spectroscopy, mass spectrometry, and crystallography to confirm its structure and purity. Overall, 3-Iodo-1H-[1,3]dioxolo[4,5-f]indazole represents a class of compounds that may have applications in drug development and materials science.

Formula: C₈H₅IN₂O₂

InChI: InChI=1S/C8H5IN2O2/c9-8-4-1-6-7(13-3-12-6)2-5(4)10-11-8/h1-2H,3H2,(H,10,11)

InChI key: InChIKey=LRAGKZWJZNTQFX-UHFFFAOYSA-N

SMILES: IC=1C=2C(=CC3=C(C2)OCO3)NN1

Synonyms:

• 1H-[1,3]Dioxolo[4,5-f]indazole, 3-iodo-
• 3-Iodo-1H-[1,3]dioxolo[4,5-f]indazole