structure of 7-chloro-4-fluoro-1H-indazole

7-chloro-4-fluoro-1H-indazole

CAS No.: 1000341-70-7
M. Wt: 170.572
M. Fa: C7H4ClFN2
InChI Key: PBIXHDNEONVWJP-UHFFFAOYSA-N
Appearance: Off-White To Light Brown Solid

Names and Identifiers of 7-chloro-4-fluoro-1H-indazole

CAS Number

1000341-70-7

MDL Number

MFCD35097955

IUPAC Name

7-chloro-4-fluoro-1H-indazole

InChI

InChI=1S/C7H4ClFN2/c8-5-1-2-6(9)4-3-10-11-7(4)5/h1-3H,(H,10,11)

InChIKey

PBIXHDNEONVWJP-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C2C(=C1F)C=NN2)Cl

UNSPSC Code

12352100

Physical and chemical properties of 7-chloro-4-fluoro-1H-indazole

Boiling Point

311.6±22.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

170.004700

Flash Point

142.3±22.3 °C

H Bond Acceptors

1

H Bond Donors

1

Index of Refraction

1.669

LogP

2.42

Molecular Formula

C7H4ClFN2

Molecular Weight

170.572

PSA

28.68000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 7-chloro-4-fluoro-1H-indazole

Pictograms

Signal Word

 Warning

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

Applications of 7-chloro-4-fluoro-1H-indazole

7-Chloro-4-fluoro-1H-indazole has potential applications in:

  • Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound for developing new antimicrobial agents.
  • Research: Its unique structural features make it valuable in studies exploring enzyme inhibition and drug design.

Interaction Studies of 7-chloro-4-fluoro-1H-indazole

Interaction studies have demonstrated that 7-chloro-4-fluoro-1H-indazole can bind effectively to the active sites of various enzymes, leading to significant changes in their activity. For example, its role as an inhibitor of lactoperoxidase highlights its potential as a therapeutic agent against microbial infections.

Biological Activity of 7-chloro-4-fluoro-1H-indazole

Studies have shown that 7-chloro-4-fluoro-1H-indazole exhibits significant biological activity, particularly as an inhibitor of lactoperoxidase, an enzyme with antimicrobial properties. Its inhibitory effects on lactoperoxidase indicate potential applications in treating infections and other microbial-related conditions. The compound's interaction with specific biomolecules can lead to enzyme inhibition, affecting various cellular signaling pathways.

Physical sample testing spectrum (NMR) of 7-chloro-4-fluoro-1H-indazole

Physical sample testing spectrum (NMR) of 7-chloro-4-fluoro-1H-indazole