structure of 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde

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

CAS No.: 1000341-64-9
M. Wt: 180.591
M. Fa: C8H5ClN2O
InChI Key: MMBBXYKIDWFQOP-UHFFFAOYSA-N
Appearance: Pale-brown Solid

Names and Identifiers of 1000341-64-9

CAS Number

1000341-64-9

MDL Number

MFCD09749983

IUPAC Name

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

InChI

InChI=1S/C8H5ClN2O/c9-8-1-7-6(3-11-8)5(4-12)2-10-7/h1-4,10H

InChIKey

MMBBXYKIDWFQOP-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 1000341-64-9

Acidity coefficient

12.80±0.40(Predicted)

Boiling Point

418.0±40.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

180.009033

Flash Point

206.6±27.3 °C

Index of Refraction

1.748

LogP

0.86

Molecular Formula

C8H5ClN2O

Molecular Weight

180.591

PSA

45.75000

Storage condition

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

Vapour Pressure

0.0±1.0 mmHg at 25°C

Safety Information of 1000341-64-9

Pictograms

Signal Word

 Warning

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

Applications of 1000341-64-9

The applications of 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde are diverse, particularly in:

  • Medicinal Chemistry: Its potential as a lead compound for developing new pharmaceuticals targeting various diseases.
  • Organic Synthesis: It serves as an intermediate in synthesizing more complex organic molecules.
  • Material Science: Possible applications in developing new materials due to its unique electronic properties.

Interaction Studies of 1000341-64-9

Interaction studies involving 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde focus on its binding affinity with biological targets. Preliminary studies suggest that it may interact with specific enzymes or receptors relevant to disease pathways, indicating its potential therapeutic roles. Further research is necessary to elucidate these interactions fully and assess their implications for drug design.

Biological Activity of 1000341-64-9

Research indicates that 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde exhibits various biological activities. Its structural features suggest potential as an antimicrobial agent and a precursor for compounds with anti-cancer properties. The presence of the pyrrole and pyridine rings may contribute to its bioactivity by interacting with biological targets such as enzymes or receptors.

Physical sample testing spectrum (NMR) of 1000341-64-9

Physical sample testing spectrum (NMR) of 1000341-64-9