3-Iodo-6-methyl-5-nitro-1H-indazole
CAS No.:
1000343-55-4
M. Wt:
303.057
M. Fa:
C8H6IN3O2
InChI Key:
UMRBFGNXSMPUHB-UHFFFAOYSA-N
Appearance:
orange powder
Names and Identifiers of 3-Iodo-6-methyl-5-nitro-1H-indazole
CAS Number |
1000343-55-4 |
|---|---|
IUPAC Name |
3-iodo-6-methyl-5-nitro-2H-indazole |
InChI |
InChI=1S/C8H6IN3O2/c1-4-2-6-5(8(9)11-10-6)3-7(4)12(13)14/h2-3H,1H3,(H,10,11) |
InChIKey |
UMRBFGNXSMPUHB-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC2=NNC(=C2C=C1[N+](=O)[O-])I |
Physical and chemical properties of 3-Iodo-6-methyl-5-nitro-1H-indazole
Boiling Point |
453.9±40.0 °C at 760 mmHg |
|---|---|
Density |
2.1±0.1 g/cm3 |
Exact Mass |
302.950470 |
Flash Point |
228.3±27.3 °C |
Index of Refraction |
1.779 |
LogP |
3.82 |
Molecular Formula |
C8H6IN3O2 |
Molecular Weight |
303.057 |
PSA |
74.50000 |
Storage condition |
2-8°C(protect from light) |
Vapour Pressure |
0.0±1.1 mmHg at 25°C |
Applications of 3-Iodo-6-methyl-5-nitro-1H-indazole
3-Iodo-6-methyl-5-nitro-1H-indazole has several applications:
- Pharmaceutical Development: Its derivatives are investigated for potential use in treating infections and cancers.
- Chemical Research: It serves as a building block in organic synthesis, particularly for creating more complex nitrogen-containing heterocycles.
- Material Science: Potential applications in developing new materials due to its unique electronic properties.
Interaction Studies of 3-Iodo-6-methyl-5-nitro-1H-indazole
Research into the interactions of 3-Iodo-6-methyl-5-nitro-1H-indazole with biological systems is ongoing. Key findings include:
- Protein Binding Studies: Assessments indicate how well the compound binds to various proteins, which is crucial for understanding its pharmacokinetics.
- Enzyme Interaction Profiles: Studies have shown that it can inhibit certain enzymes, which could lead to therapeutic applications.
- Toxicological Assessments: Investigations into its safety profile are essential for evaluating its potential as a drug candidate.
Biological Activity of 3-Iodo-6-methyl-5-nitro-1H-indazole
3-Iodo-6-methyl-5-nitro-1H-indazole exhibits significant biological activity, particularly as a potential pharmaceutical agent. Its derivatives have shown promise as:
- Antimicrobial Agents: Certain derivatives possess antibacterial and antifungal properties.
- Anticancer Compounds: Studies suggest that some nitroindazoles can inhibit tumor growth and induce apoptosis in cancer cells.
- Enzyme Inhibitors: The compound may act as an inhibitor for specific enzymes involved in metabolic pathways, which could be useful in drug design.
Cas:81115-43-7
