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
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
