structure of 4-fluoro-3-nitro-1H-indazole

4-fluoro-3-nitro-1H-indazole

CAS No.: 1000342-53-9
M. Wt: 181.124
M. Fa: C7H4FN3O2
InChI Key: UAJFRDABBOEABX-UHFFFAOYSA-N

Names and Identifiers of 4-fluoro-3-nitro-1H-indazole

CAS Number

1000342-53-9

MDL Number

MFCD08690118

IUPAC Name

4-fluoro-3-nitro-2H-indazole

InChI

InChI=1S/C7H4FN3O2/c8-4-2-1-3-5-6(4)7(10-9-5)11(12)13/h1-3H,(H,9,10)

InChIKey

UAJFRDABBOEABX-UHFFFAOYSA-N

Canonical SMILES

C1=CC2=NNC(=C2C(=C1)F)[N+](=O)[O-]

UNSPSC Code

12352100

Physical and chemical properties of 4-fluoro-3-nitro-1H-indazole

Boiling Point

386.1±22.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

181.028748

Flash Point

187.3±22.3 °C

H Bond Acceptors

3

H Bond Donors

1

Index of Refraction

1.704

LogP

1.77

Molecular Formula

C7H4FN3O2

Molecular Weight

181.124

PSA

74.50000

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 4-fluoro-3-nitro-1H-indazole

Pictograms

Signal Word

 Warning

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

Applications of 4-fluoro-3-nitro-1H-indazole

4-Fluoro-3-nitro-1H-indazole has several applications in medicinal chemistry due to its unique properties:

  • Pharmaceutical Development: As a scaffold for designing new drugs targeting various biological pathways.
  • Material Science: Potential use in developing novel materials with specific electronic or optical properties due to its unique chemical structure.

Interaction Studies of 4-fluoro-3-nitro-1H-indazole

Studies on the interactions of 4-fluoro-3-nitro-1H-indazole with biological targets have indicated its potential as an effective inhibitor in biochemical pathways related to diseases such as cancer and neurodegenerative disorders. The compound's ability to form hydrogen bonds and engage in electrostatic interactions enhances its efficacy as a therapeutic agent.

Biological Activity of 4-fluoro-3-nitro-1H-indazole

The biological activity of 4-fluoro-3-nitro-1H-indazole is notable for its potential as an enzyme inhibitor or receptor antagonist. The nitro group facilitates interactions with biological targets through hydrogen bonding and electrostatic interactions. Additionally, the fluorine atom enhances lipophilicity and membrane permeability, which may improve cellular uptake and interaction with intracellular targets. Indazoles have been investigated for their roles in various therapeutic areas, including anticancer, anti-inflammatory, and antimicrobial activities.