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

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

CAS No.: 1000340-67-9
M. Wt: 194.618
M. Fa: C9H7ClN2O
InChI Key: ZXDYFDLFHVNOOI-UHFFFAOYSA-N

Names and Identifiers of 1000340-67-9

CAS Number

1000340-67-9

MDL Number

MFCD09027041

IUPAC Name

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

InChI

InChI=1S/C9H7ClN2O/c1-5-2-3-6(10)8-7(4-13)11-12-9(5)8/h2-4H,1H3,(H,11,12)

InChIKey

ZXDYFDLFHVNOOI-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000340-67-9

Acidity coefficient

11.26±0.40(Predicted)

Boiling Point

401.6±40.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

194.024689

Flash Point

196.7±27.3 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.716

LogP

2.10

Molecular Formula

C9H7ClN2O

Molecular Weight

194.618

PSA

45.75000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000340-67-9

Pictograms

Signal Word

 Warning

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

Applications of 1000340-67-9

4-Chloro-7-methyl-1H-indazole-3-carbaldehyde has several potential applications:

  • Pharmaceutical Development: Due to its biological activity, it is explored for developing new drugs targeting kinase pathways.
  • Chemical Research: It serves as a building block for synthesizing other complex organic molecules.

Interaction Studies of 1000340-67-9

Studies on interaction mechanisms involving 4-Chloro-7-methyl-1H-indazole-3-carbaldehyde have revealed:

  • Binding Affinity: Investigations into its binding affinity with specific kinases suggest that modifications on the indazole ring can significantly influence its inhibitory potency.
  • Structure-Activity Relationship: Understanding how structural changes affect biological activity is crucial for optimizing drug candidates derived from this compound.

Biological Activity of 1000340-67-9

4-Chloro-7-methyl-1H-indazole-3-carbaldehyde and its derivatives have garnered attention for their biological activities. Indazole compounds are known to exhibit:

  • Kinase Inhibition: Some indazole derivatives act as inhibitors for various kinases, which are critical in cancer and inflammatory diseases.
  • Anti-inflammatory Properties: Certain studies suggest that indazole derivatives may possess anti-inflammatory effects, making them potential candidates for treating related disorders.