structure of 6-Bromo-7-methyl-1H-indazole-3-carboxylic acid

6-Bromo-7-methyl-1H-indazole-3-carboxylic acid

CAS No.: 1000340-71-5
M. Wt: 255.068
M. Fa: C9H7BrN2O2
InChI Key: ULINCJQNTOFFNO-UHFFFAOYSA-N

Names and Identifiers of 1000340-71-5

CAS Number

1000340-71-5

MDL Number

MFCD30365291

IUPAC Name

6-bromo-7-methyl-2H-indazole-3-carboxylic acid

InChI

InChI=1S/C9H7BrN2O2/c1-4-6(10)3-2-5-7(4)11-12-8(5)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)

InChIKey

ULINCJQNTOFFNO-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C=CC2=C(NN=C12)C(=O)O)Br

UNSPSC Code

12352100

Physical and chemical properties of 1000340-71-5

Acidity coefficient

2.86±0.10(Predicted)

Boiling Point

492.4±40.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

253.969086

Flash Point

251.6±27.3 °C

H Bond Acceptors

3

H Bond Donors

2

Index of Refraction

1.733

LogP

2.53

Molecular Formula

C9H7BrN2O2

Molecular Weight

255.068

PSA

65.98000

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 1000340-71-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000340-71-5

6-Bromo-7-methyl-1H-indazole-3-carboxylic acid has various applications:

  • Pharmaceutical Development: Its potential as an antitumor and antimicrobial agent makes it valuable in drug discovery and development.
  • Research Tool: It serves as a reference standard in biochemical assays and pharmacological testing.
  • Chemical Synthesis: The compound can act as an intermediate in synthesizing more complex molecules within medicinal chemistry .

Interaction Studies of 1000340-71-5

Interaction studies involving 6-bromo-7-methyl-1H-indazole-3-carboxylic acid focus on its binding affinity and inhibitory effects on target proteins or enzymes. Preliminary data suggest:

  • Protein Binding: Investigations into how this compound interacts with specific proteins could elucidate its mechanism of action.
  • Synergistic Effects: Studies may explore whether combining this compound with other drugs enhances therapeutic efficacy against particular diseases .

Biological Activity of 1000340-71-5

6-Bromo-7-methyl-1H-indazole-3-carboxylic acid has shown promising biological activities in preliminary studies. It is believed to possess:

  • Antitumor Properties: Some studies suggest that compounds within the indazole family exhibit anticancer effects, possibly through mechanisms involving apoptosis or cell cycle arrest.
  • Antimicrobial Activity: The compound may demonstrate efficacy against certain bacterial strains, making it a candidate for further investigation in antimicrobial drug development.
  • Enzyme Inhibition: There is potential for this compound to act as an inhibitor of specific enzymes involved in metabolic pathways, which could have implications for treating various diseases .