structure of 6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid

CAS No.: 1000341-67-2
M. Wt: 196.590
M. Fa: C8H5ClN2O2
InChI Key: RMSBIZUSTXPPBW-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000341-67-2

CAS Number

1000341-67-2

MDL Number

MFCD09749984

IUPAC Name

6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid

InChI

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

InChIKey

RMSBIZUSTXPPBW-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000341-67-2

Acidity coefficient

2.12±0.30(Predicted)

Boiling Point

500.9±45.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

196.003952

Flash Point

256.7±28.7 °C

Index of Refraction

1.744

LogP

1.17

Molecular Formula

C8H5ClN2O2

Molecular Weight

196.590

PSA

65.98000

Storage condition

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

Vapour Pressure

0.0±1.4 mmHg at 25°C

Safety Information of 1000341-67-2

Pictograms

Signal Word

 Warning

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

Applications of 1000341-67-2

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid has diverse applications in scientific research:

  • Medicinal Chemistry: It serves as a scaffold for developing new therapeutic agents targeting various diseases.
  • Biological Research: The compound is used to study biological pathways and molecular targets, particularly those related to kinase inhibition and signal transduction.
  • Industrial

Interaction Studies of 1000341-67-2

Studies involving 6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid focus on its interactions with biological targets, particularly kinases. These investigations help elucidate its mechanism of action and potential therapeutic benefits in treating diseases like cancer. The compound's ability to inhibit specific kinase pathways is critical for its development as a therapeutic agent.

Biological Activity of 1000341-67-2

6-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid exhibits notable biological activity. It has been studied for its potential as an inhibitor of various kinases involved in signal transduction pathways. This activity makes it a valuable candidate for further research into therapeutic applications targeting diseases such as cancer.

Physical sample testing spectrum (NMR) of 1000341-67-2

Physical sample testing spectrum (NMR) of 1000341-67-2

Retrosynthesis analysis of 1000341-67-2

  • Route#1

    Cas:800402-12-4
    Cas:1000341-67-2

  • Route#2

    Cas:1296201-72-3
    Cas:76-05-1
    Cas:1000341-67-2