structure of 7-Bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine

7-Bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine

CAS No.: 1000342-04-0
M. Wt: 231.477
M. Fa: C7H4BrClN2
InChI Key: QVOWRZHOWQAPFS-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000342-04-0

CAS Number

1000342-04-0

MDL Number

MFCD09750003

IUPAC Name

7-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine

InChI

InChI=1S/C7H4BrClN2/c8-5-3-11-7(9)4-1-2-10-6(4)5/h1-3,10H

InChIKey

QVOWRZHOWQAPFS-UHFFFAOYSA-N

Canonical SMILES

C1=CNC2=C1C(=NC=C2Br)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000342-04-0

Acidity coefficient

12.63±0.40(Predicted)

Boiling Point

367.8±37.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

229.924637

Flash Point

176.2±26.5 °C

Index of Refraction

1.730

LogP

2.29

Molecular Formula

C7H4BrClN2

Molecular Weight

231.477

PSA

28.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.8 mmHg at 25°C

Safety Information of 1000342-04-0

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 1000342-04-0

This compound has several applications in organic synthesis and medicinal chemistry:

  • Intermediates for Complex Molecules: It serves as an intermediate in synthesizing various biologically active compounds, including pyrimido derivatives and other heterocycles.
  • Drug Development: Given its biological activity, it is being explored as a potential lead compound in drug discovery processes aimed at developing new therapeutic agents.

Interaction Studies of 1000342-04-0

Interaction studies indicate that 7-Bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine may interact with biological targets through:

  • Non-Covalent Interactions: These include hydrogen bonding and π-π stacking interactions that are essential for binding to enzymes or receptors involved in glucose metabolism and other biochemical pathways.
  • Influence on Biochemical Pathways: The compound's effects on glucose metabolism suggest it may modulate pathways related to energy utilization and storage within cells.

Biological Activity of 1000342-04-0

7-Bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine exhibits significant biological activity, particularly in the context of medicinal chemistry. Related compounds have shown potential in:

  • Reducing Blood Glucose Levels: Similar structures have been implicated in glucose metabolism, suggesting that this compound may also influence metabolic pathways related to glucose uptake and utilization.
  • Potential Anticancer Activity: The pyrrolopyridine framework is often associated with compounds that exhibit anticancer properties, making this compound a candidate for further biological evaluation.

Physical sample testing spectrum (NMR) of 1000342-04-0

Physical sample testing spectrum (NMR) of 1000342-04-0