structure of 4-Fluoro-7-methyl-1H-indazole-3-carbaldehyde

4-Fluoro-7-methyl-1H-indazole-3-carbaldehyde

CAS No.: 1000340-63-5
M. Wt: 178.163
M. Fa: C9H7FN2O
InChI Key: GIVSRRPYMYSITR-UHFFFAOYSA-N

Names and Identifiers of 1000340-63-5

CAS Number

1000340-63-5

MDL Number

MFCD28163224

IUPAC Name

4-fluoro-7-methyl-2H-indazole-3-carbaldehyde

InChI

InChI=1S/C9H7FN2O/c1-5-2-3-6(10)8-7(4-13)11-12-9(5)8/h2-4H,1H3,(H,11,12)

InChIKey

GIVSRRPYMYSITR-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C2=C(NN=C12)C=O)F

UNSPSC Code

12352100

Physical and chemical properties of 1000340-63-5

Boiling Point

369.3±37.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

178.054245

Flash Point

177.2±26.5 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.682

LogP

1.55

Molecular Formula

C9H7FN2O

Molecular Weight

178.163

PSA

45.75000

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000340-63-5

Pictograms

Signal Word

 Warning

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

Applications of 1000340-63-5

4-Fluoro-7-methyl-1H-indazole-3-carbaldehyde has a variety of applications across different fields:

  • Medicinal Chemistry: It is explored as a potential drug candidate due to its ability to inhibit specific enzymes and modulate receptor activity.
  • Biological Research: Used in assays to study enzyme inhibition and receptor binding.
  • Material Science: Its unique structure makes it suitable for developing new materials with specific electronic or optical properties.
  • Industrial Use: It serves as an intermediate in the synthesis of other complex organic molecules.

Interaction Studies of 1000340-63-5

The mechanism of action for 4-Fluoro-7-methyl-1H-indazole-3-carbaldehyde involves its interaction with specific molecular targets such as enzymes or receptors. The fluorine atom enhances the compound’s binding affinity, while the aldehyde group can form hydrogen bonds with amino acid residues in target proteins. This interaction stabilizes the binding and modulates protein activity, which is crucial for its potential therapeutic effects.

Biological Activity of 1000340-63-5

The biological activity of 4-Fluoro-7-methyl-1H-indazole-3-carbaldehyde is of significant interest in medicinal chemistry. It has been studied for its potential as a pharmacophore in drug design, particularly for targeting specific enzymes or receptors. Its unique structure allows it to interact with biological targets effectively, making it a candidate for further research into its anti-inflammatory and anticancer properties.