structure of 3,6-Dibromo-5-methyl-1H-indazole

3,6-Dibromo-5-methyl-1H-indazole

CAS No.: 1000342-39-1
M. Wt: 289.955
M. Fa: C8H6Br2N2
InChI Key: WQBPPIHTEAQRJE-UHFFFAOYSA-N

Names and Identifiers of 3,6-Dibromo-5-methyl-1H-indazole

CAS Number

1000342-39-1

IUPAC Name

3,6-dibromo-5-methyl-2H-indazole

InChI

InChI=1S/C8H6Br2N2/c1-4-2-5-7(3-6(4)9)11-12-8(5)10/h2-3H,1H3,(H,11,12)

InChIKey

WQBPPIHTEAQRJE-UHFFFAOYSA-N

Canonical SMILES

CC1=CC2=C(NN=C2C=C1Br)Br

Physical and chemical properties of 3,6-Dibromo-5-methyl-1H-indazole

Acidity coefficient

10.83±0.40(Predicted)

Boiling Point

399.6±37.0 °C at 760 mmHg

Density

2.0±0.1 g/cm3

Exact Mass

287.889771

Flash Point

195.4±26.5 °C

Index of Refraction

1.721

LogP

4.12

Molecular Formula

C8H6Br2N2

Molecular Weight

289.955

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Applications of 3,6-Dibromo-5-methyl-1H-indazole

3,6-Dibromo-5-methyl-1H-indazole finds applications across various domains:

  • Medicinal Chemistry: As a scaffold for developing new drugs due to its biological activity.
  • Material Science: Used in synthesizing novel materials with specific electronic or optical properties.
  • Nanotechnology: Employed in creating nanomaterials that exhibit enhanced properties for applications in electronics and biomedicine.

Interaction Studies of 3,6-Dibromo-5-methyl-1H-indazole

Studies exploring the interactions of 3,6-Dibromo-5-methyl-1H-indazole with biological targets are crucial for understanding its pharmacological potential. Research has focused on:

  • Binding Affinity Studies: Assessing how well the compound interacts with specific proteins or enzymes.
  • Mechanistic Studies: Investigating how this compound affects cellular pathways and biological processes.

These studies are essential for evaluating its potential therapeutic uses and understanding its mechanism of action.

Biological Activity of 3,6-Dibromo-5-methyl-1H-indazole

Research indicates that 3,6-Dibromo-5-methyl-1H-indazole exhibits notable biological activities. It has been studied for its potential as:

  • Antimicrobial Agent: Some studies suggest that this compound may possess antibacterial and antifungal properties.
  • Anticancer Activity: Preliminary research points to its potential in inhibiting cancer cell proliferation, making it a candidate for further pharmacological studies.
  • Neuroprotective Effects: There is emerging evidence that it may have protective effects on neuronal cells, potentially useful in neurodegenerative disease research.