structure of 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one

6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one

CAS No.: 1000342-80-2
M. Wt: 168.580
M. Fa: C7H5ClN2O
InChI Key: RHUOLXNCHDDKTB-UHFFFAOYSA-N
Appearance: yellow solid

Names and Identifiers of 1000342-80-2

CAS Number

1000342-80-2

EC Number

696-255-6

MDL Number

MFCD08690138

IUPAC Name

6-chloro-1,3-dihydropyrrolo[3,2-c]pyridin-2-one

InChI

InChI=1S/C7H5ClN2O/c8-6-2-5-4(3-9-6)1-7(11)10-5/h2-3H,1H2,(H,10,11)

InChIKey

RHUOLXNCHDDKTB-UHFFFAOYSA-N

Canonical SMILES

C1C2=CN=C(C=C2NC1=O)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000342-80-2

Acidity coefficient

11.86±0.20(Predicted)

Boiling Point

376.0±42.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

168.009033

Flash Point

181.2±27.9 °C

Index of Refraction

1.610

LogP

1.75

Molecular Formula

C7H5ClN2O

Molecular Weight

168.580

PSA

41.99000

Storage condition

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

Vapour Pressure

0.0±0.9 mmHg at 25°C

Safety Information of 1000342-80-2

Pictograms

Signal Word

 Warning

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

Applications of 1000342-80-2

6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one finds applications primarily in:

  • Pharmaceutical Development: As a scaffold for designing new drugs targeting various diseases due to its biological activity.
  • Chemical Research: Used as an intermediate in synthesizing more complex organic molecules.
  • Material Science: Potential use in developing new materials with specific electronic or optical properties.

These applications underscore its versatility in both medicinal and industrial chemistry.

Interaction Studies of 1000342-80-2

Studies on the interactions of 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one with biological targets have revealed:

  • Drug Metabolism Implications: Its role as a CYP1A2 inhibitor suggests that it may influence the metabolism of co-administered drugs, necessitating careful consideration during drug formulation.
  • Synergistic Effects: Preliminary data indicate that combinations with other compounds may enhance therapeutic effects or reduce side effects in specific treatments.

Understanding these interactions is crucial for optimizing its use in therapeutic contexts.

Biological Activity of 1000342-80-2

Research indicates that 6-Chloro-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one exhibits notable biological activities:

  • Antimicrobial Properties: Preliminary studies suggest that this compound has potential antimicrobial effects against various pathogens.
  • CYP Enzyme Inhibition: It has been identified as an inhibitor of certain cytochrome P450 enzymes, particularly CYP1A2, which is significant for drug metabolism and interactions.
  • Neuroprotective Effects: Some derivatives have shown promise in neuroprotection studies, indicating potential applications in treating neurodegenerative diseases.

These activities highlight its importance in drug discovery and development.

Physical sample testing spectrum (NMR) of 1000342-80-2

Physical sample testing spectrum (NMR) of 1000342-80-2

Retrosynthesis analysis of 1000342-80-2

  • Route#1

    Cas:74976-31-1
    Cas:1000342-80-2

  • Route#2

    Cas:1190862-39-5
    Cas:1000342-80-2