structure of 3-Chloro-6-methyl-7-nitro-1H-indazole

3-Chloro-6-methyl-7-nitro-1H-indazole

CAS No.: 1000342-46-0
M. Wt: 211.605
M. Fa: C8H6ClN3O2
InChI Key: GVLQTPUQQONAER-UHFFFAOYSA-N

Names and Identifiers of 3-Chloro-6-methyl-7-nitro-1H-indazole

CAS Number

1000342-46-0

IUPAC Name

3-chloro-6-methyl-7-nitro-2H-indazole

InChI

InChI=1S/C8H6ClN3O2/c1-4-2-3-5-6(7(4)12(13)14)10-11-8(5)9/h2-3H,1H3,(H,10,11)

InChIKey

GVLQTPUQQONAER-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C2=NNC(=C2C=C1)Cl)[N+](=O)[O-]

Physical and chemical properties of 3-Chloro-6-methyl-7-nitro-1H-indazole

Boiling Point

411.9±40.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

211.014847

Flash Point

202.9±27.3 °C

Index of Refraction

1.711

LogP

2.81

Molecular Formula

C8H6ClN3O2

Molecular Weight

211.605

PSA

74.50000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Applications of 3-Chloro-6-methyl-7-nitro-1H-indazole

3-Chloro-6-methyl-7-nitro-1H-indazole finds applications in various fields:

  • Medicinal Chemistry: It serves as a building block for synthesizing pharmaceutical compounds with potential therapeutic effects.
  • Biological Research: The compound is utilized in studies investigating its interactions with biological targets to elucidate its mechanism of action.
  • Industrial

Interaction Studies of 3-Chloro-6-methyl-7-nitro-1H-indazole

Research on the interaction of 3-Chloro-6-methyl-7-nitro-1H-indazole with biological molecules has provided insights into its mechanisms of action:

  • Studies indicate that the compound may interact with specific enzymes and receptors, influencing their activity.
  • Molecular modeling studies have been conducted to predict its binding affinity and interactions with various biological targets.

Biological Activity of 3-Chloro-6-methyl-7-nitro-1H-indazole

The biological activity of 3-Chloro-6-methyl-7-nitro-1H-indazole has been extensively studied. It has been shown to interact with various biological targets, including enzymes and receptors. Key findings include:

  • Anticancer Properties: This compound has demonstrated the ability to induce apoptosis in cancer cells by disrupting mitochondrial function and activating caspases.
  • Enzyme Inhibition: It inhibits certain enzymes like phosphoinositide 3-kinase, which plays a crucial role in cell growth and survival pathways.
  • Antimicrobial Activity: Preliminary studies suggest potential antimicrobial effects, although further research is needed to confirm these findings.