![structure of 4-Bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/99/1000341-99-0.svg)
4-Bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
Names and Identifiers of 1000341-99-0
CAS Number |
1000341-99-0 |
|---|---|
MDL Number |
MFCD09750001 |
IUPAC Name |
4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde |
InChI |
InChI=1S/C8H4BrClN2O/c9-8-6-4(3-13)1-11-7(6)5(10)2-12-8/h1-3,11H |
InChIKey |
AVANOLZDZLMZBI-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C2=C(N1)C(=CN=C2Br)Cl)C=O |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000341-99-0
Acidity coefficient |
11.19±0.40(Predicted) |
|---|---|
Boiling Point |
448.4±40.0 °C at 760 mmHg |
Density |
1.9±0.1 g/cm3 |
Exact Mass |
257.919556 |
Flash Point |
225.0±27.3 °C |
H Bond Acceptors |
2 |
H Bond Donors |
1 |
Index of Refraction |
1.768 |
LogP |
2.29 |
Molecular Formula |
C8H4BrClN2O |
Molecular Weight |
259.487 |
PSA |
45.75000 |
Vapour Pressure |
0.0±1.1 mmHg at 25°C |
Safety Information of 1000341-99-0
Applications of 1000341-99-0
This compound has potential applications in several fields:
- Medicinal Chemistry: Due to its structural characteristics, it may serve as a lead compound in drug development targeting various diseases.
- Material Science: Its unique properties could be leveraged in creating novel materials or catalysts.
- Chemical Biology: As a building block for more complex molecules in biological research.
Interaction Studies of 1000341-99-0
Interaction studies involving this compound often focus on its role as a ligand in coordination complexes. Research indicates that similar compounds can form stable complexes with transition metals, enhancing their biological activity. These interactions can lead to increased efficacy against specific cancer cell lines or other biological targets.
Similar Compounds: ComparisonSeveral compounds share structural similarities with 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde. A comparison highlights their uniqueness:
| Compound Name | Molecular Formula | Similarity Index |
|---|---|---|
| 6-Chloro-1H-pyrrolo[3,2-c]pyridine | C₇H₄ClN₂ | 0.82 |
| 4-Chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde | C₈H₄ClN₂O | 0.73 |
| 6-Bromo-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde | C₈H₄BrN₂O | 0.72 |
| 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde | C₇H₄N₂O | 0.84 |
Biological Activity of 1000341-99-0
Preliminary studies suggest that 4-bromo-7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde exhibits potential biological activities. Compounds with similar structures have been investigated for their anticancer properties, particularly as ligands in metal complexes for therapeutic applications. Specific studies indicate that pyrrole and pyridine derivatives can interact with biological targets, potentially leading to cytotoxic effects against cancer cells.