structure of 4-Chloro-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid

4-Chloro-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid

CAS No.: 1000340-37-3
M. Wt: 196.590
M. Fa: C8H5ClN2O2
InChI Key: CFASASVVIOZGNK-UHFFFAOYSA-N
Appearance: Pale-brown Solid

Names and Identifiers of 1000340-37-3

CAS Number

1000340-37-3

EC Number

882-835-8

MDL Number

MFCD09880128

IUPAC Name

4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

InChI

InChI=1S/C8H5ClN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

CFASASVVIOZGNK-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C2C(=C1Cl)C(=CN2)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000340-37-3

Acidity coefficient

-0.09±0.10(Predicted)

Density

1.6±0.1 g/cm3

Exact Mass

196.003952

Index of Refraction

1.744

LogP

2.36

Molecular Formula

C8H5ClN2O2

Molecular Weight

196.590

PSA

65.98000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Safety Information of 1000340-37-3

Pictograms

Signal Word

 Warning

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

Applications of 1000340-37-3

4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has several applications:

  • Pharmaceutical Development: Its potential as a therapeutic agent in treating cancer and other diseases makes it a focus of medicinal chemistry.
  • Chemical Research: Used as an intermediate in organic synthesis for developing new compounds with desired biological activities.
  • Material Science: Investigated for use in creating novel materials due to its unique chemical properties.

Interaction Studies of 1000340-37-3

Studies on the interactions of 4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid with biological targets have revealed its potential as an enzyme inhibitor. For instance, it may inhibit specific kinases involved in cancer cell proliferation. Understanding these interactions is crucial for elucidating its mechanism of action and optimizing its efficacy in therapeutic applications.

Biological Activity of 1000340-37-3

Research indicates that 4-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid exhibits significant biological activity. It has been studied for its potential as an inhibitor in various biological pathways, particularly in cancer research. The compound's structural features allow it to interact with specific enzymes and receptors, suggesting it could be a candidate for drug development targeting various diseases.

Physical sample testing spectrum (NMR) of 1000340-37-3

Physical sample testing spectrum (NMR) of 1000340-37-3