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

7-bromo-4-fluoro-1H-indazole

CAS No.: 1000341-72-9
M. Wt: 215.023
M. Fa: C7H4BrFN2
InChI Key: DMELXNIJOPEOFT-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

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

CAS Number

1000341-72-9

MDL Number

MFCD09749914

IUPAC Name

7-bromo-4-fluoro-1H-indazole

InChI

InChI=1S/C7H4BrFN2/c8-5-1-2-6(9)4-3-10-11-7(4)5/h1-3H,(H,10,11)

InChIKey

DMELXNIJOPEOFT-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

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

Boiling Point

330.3±22.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

213.954178

Flash Point

153.6±22.3 °C

Index of Refraction

1.693

LogP

2.58

Molecular Formula

C7H4BrFN2

Molecular Weight

215.023

PSA

28.68000

Vapour Pressure

0.0±0.7 mmHg at 25°C

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

7-bromo-4-fluoro-1H-indazole finds applications primarily in medicinal chemistry due to its biological activities. It serves as a lead compound for developing new pharmaceuticals targeting various diseases, particularly in oncology and neurology. Additionally, its unique chemical properties make it valuable in material science for synthesizing novel materials with specific electronic or optical characteristics.

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

Interaction studies involving 7-bromo-4-fluoro-1H-indazole focus on its biochemical pathways and potential targets within biological systems. Research indicates that this compound can interact with various enzymes and receptors, influencing cellular processes related to inflammation, cancer progression, and neurotransmitter activity. Understanding these interactions is crucial for elucidating its therapeutic potential and optimizing its efficacy.

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

7-bromo-4-fluoro-1H-indazole has been investigated for its potential biological activities, particularly in pharmacology. Compounds containing the indazole moiety have shown a broad spectrum of biological effects, including:

  • Antihypertensive: Potential in managing high blood pressure.
  • Anticancer: Activity against various cancer cell lines.
  • Antidepressant: Effects that may alleviate symptoms of depression.
  • Anti-inflammatory: Capable of reducing inflammation.
  • Antibacterial: Exhibits properties against bacterial infections.

The mode of action is believed to involve interactions with specific biochemical pathways, influenced by the electron-deficient nature of the fluorine substituent, which can modulate the energy levels within the molecule.

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

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