structure of 3-Iodo-4-(trifluoromethyl)-1H-indazole

3-Iodo-4-(trifluoromethyl)-1H-indazole

CAS No.: 1000341-14-9
M. Wt: 312.030
M. Fa: C8H4F3IN2
InChI Key: UZNAFBYLDZTQQK-UHFFFAOYSA-N

Names and Identifiers of 3-Iodo-4-(trifluoromethyl)-1H-indazole

CAS Number

1000341-14-9

MDL Number

MFCD09263214

IUPAC Name

3-iodo-4-(trifluoromethyl)-2H-indazole

InChI

InChI=1S/C8H4F3IN2/c9-8(10,11)4-2-1-3-5-6(4)7(12)14-13-5/h1-3H,(H,13,14)

InChIKey

UZNAFBYLDZTQQK-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=NNC(=C2C(=C1)C(F)(F)F)I

UNSPSC Code

12352100

Physical and chemical properties of 3-Iodo-4-(trifluoromethyl)-1H-indazole

Boiling Point

352.0±37.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

311.937103

Flash Point

166.7±26.5 °C

Index of Refraction

1.643

LogP

3.72

Molecular Formula

C8H4F3IN2

Molecular Weight

312.030

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 3-Iodo-4-(trifluoromethyl)-1H-indazole

Pictograms

Signal Word

 Warning

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

Applications of 3-Iodo-4-(trifluoromethyl)-1H-indazole

This compound has diverse applications across several fields:

  • Chemical Research: It serves as a building block in organic synthesis and as a reagent in various transformations.
  • Biological Studies: It is utilized in exploring biological pathways and enzyme activities.
  • Agrochemicals: The compound is being investigated for potential use in developing agrochemicals due to its unique properties.

Interaction Studies of 3-Iodo-4-(trifluoromethyl)-1H-indazole

Research into the interaction of 3-Iodo-4-(trifluoromethyl)-1H-indazole with biological targets has revealed its potential as a drug candidate. Its interactions are characterized by halogen bonding due to the iodine atom, which can enhance binding affinity towards specific proteins and receptors. Studies have indicated that it may influence metabolic pathways involving cytochrome P450 enzymes, showcasing its significance in pharmacology.

Biological Activity of 3-Iodo-4-(trifluoromethyl)-1H-indazole

3-Iodo-4-(trifluoromethyl)-1H-indazole exhibits notable biological activity. It has been investigated for its potential as a pharmacological agent due to its ability to interact with various biological pathways. Specific studies have shown that it can inhibit certain cytochrome P450 enzymes, which are crucial for drug metabolism, indicating its relevance in drug discovery and development. Its lipophilicity, enhanced by the trifluoromethyl group, allows it to effectively penetrate biological membranes.