structure of 3-Iodo-6-methoxy-4-nitro-1H-indazole

3-Iodo-6-methoxy-4-nitro-1H-indazole

CAS No.: 1000341-12-7
M. Wt: 319.056
M. Fa: C8H6IN3O3
InChI Key: MVRUMBZYNRQEIK-UHFFFAOYSA-N

Names and Identifiers of 3-Iodo-6-methoxy-4-nitro-1H-indazole

CAS Number

1000341-12-7

IUPAC Name

3-iodo-6-methoxy-4-nitro-2H-indazole

InChI

InChI=1S/C8H6IN3O3/c1-15-4-2-5-7(8(9)11-10-5)6(3-4)12(13)14/h2-3H,1H3,(H,10,11)

InChIKey

MVRUMBZYNRQEIK-UHFFFAOYSA-N

Canonical SMILES

COC1=CC2=NNC(=C2C(=C1)[N+](=O)[O-])I

Physical and chemical properties of 3-Iodo-6-methoxy-4-nitro-1H-indazole

Boiling Point

497.9±40.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

318.945374

Flash Point

254.9±27.3 °C

Index of Refraction

1.757

LogP

3.10

Molecular Formula

C8H6IN3O3

Molecular Weight

319.056

PSA

83.73000

Vapour Pressure

0.0±1.2 mmHg at 25°C

Applications of 3-Iodo-6-methoxy-4-nitro-1H-indazole

This compound has potential applications in medicinal chemistry, particularly in drug development for cancer and neurodegenerative diseases. Its unique structure allows it to serve as a lead compound for further modifications aimed at enhancing efficacy and reducing toxicity. Additionally, it may find use in materials science due to its electronic properties.

Interaction Studies of 3-Iodo-6-methoxy-4-nitro-1H-indazole

Interaction studies involving 3-Iodo-6-methoxy-4-nitro-1H-indazole focus on its binding affinity to various biological targets, including enzymes and receptors. Preliminary studies suggest that it may inhibit specific enzymes involved in cancer progression or neurodegeneration, although detailed investigations are necessary to elucidate its mechanisms of action.

Biological Activity of 3-Iodo-6-methoxy-4-nitro-1H-indazole

3-Iodo-6-methoxy-4-nitro-1H-indazole exhibits significant biological activity, particularly in pharmacological contexts. Compounds with similar structures have been studied for their potential as anticancer agents and in the treatment of neurological disorders. The presence of both the methoxy and nitro groups may contribute to its bioactivity by influencing the compound's interaction with biological targets.