Cas no 108128-12-7 (Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate)

Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate is a heterocyclic ester compound with a fused pyrrole-pyridine core structure. This scaffold is of significant interest in medicinal chemistry due to its potential as a building block for biologically active molecules. The methyl ester group enhances solubility and facilitates further synthetic modifications, such as hydrolysis or amidation. Its rigid bicyclic framework offers stability and distinct electronic properties, making it valuable in the development of pharmaceuticals, particularly kinase inhibitors and other targeted therapies. The compound's well-defined reactivity profile allows for efficient derivatization, supporting its use in drug discovery and material science applications. High-purity grades are available for research and industrial use.
Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate structure
108128-12-7 structure
Product Name:Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate
CAS No:108128-12-7
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD16036494
CID:1011031
Update Time:2025-10-20

Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate
    • 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester
    • 1H-Pyrrolo[2,3-c]pyridin-3-carbonsaeure-methylester
    • ANW-44612
    • CTK3J5160
    • HIN2099
    • Methyl 6-azaindole-3-carboxylate
    • QC-2943
    • SureCN1607800
    • WT1443
    • 6-Azaindole-3-carboxylic acid Methyl ester
    • Methyl 1H-pyrrolo[2,3-c]pyridine-3-carbo×ylate
    • WLVQYRDGALHYAR-UHFFFAOYSA-N
    • SB13982
    • FCH1180281
    • AX8218448
    • AB0069252
    • Z3867
    • ST24025139
    • MDL: MFCD16036494
    • Inchi: 1S/C9H8N2O2/c1-13-9(12)7-4-11-8-5-10-3-2-6(7)8/h2-5,11H,1H3
    • InChI Key: WLVQYRDGALHYAR-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CNC2C=NC=CC=21)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 208
  • Topological Polar Surface Area: 55

Experimental Properties

  • Density: 1.324

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Additional information on Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate

Comprehensive Overview of Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate (CAS No. 108128-12-7)

Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate (CAS No. 108128-12-7) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound belongs to the pyrrolopyridine family, a class of nitrogen-containing heterocycles known for their diverse biological activities. Researchers are increasingly exploring its potential as a building block for drug discovery, particularly in the development of kinase inhibitors and antiviral agents.

The molecular structure of Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate features a fused bicyclic system with a pyrrole ring attached to a pyridine moiety, making it an attractive scaffold for medicinal chemistry. Its ester functional group (methyl carboxylate) enhances its reactivity, allowing for further derivatization. Recent studies highlight its role in synthesizing compounds targeting cancer therapeutics and neurodegenerative diseases, aligning with current trends in precision medicine.

In the context of green chemistry, this compound has been investigated for its compatibility with sustainable synthesis methods. With growing interest in eco-friendly catalysis and biodegradable intermediates, researchers are optimizing its production using microwave-assisted reactions and enzymatic processes. These advancements address the demand for low-waste synthetic routes, a hot topic in industrial chemistry.

From a commercial perspective, Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate is available through specialized chemical suppliers, often listed under categories like pharmaceutical intermediates or high-purity reagents. Its CAS No. 108128-12-7 serves as a critical identifier for procurement and regulatory compliance. Analytical data, including HPLC purity and NMR spectra, are typically provided to ensure quality control for end-users.

Ongoing research explores the compound’s potential in bioimaging probes and fluorescent markers, leveraging its aromatic system’s photophysical properties. Such applications resonate with advancements in diagnostic technologies, where specificity and stability are paramount. Additionally, computational studies (in silico modeling) predict its interactions with biological targets, accelerating drug design workflows.

Safety profiles of Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate emphasize standard laboratory handling protocols, though it is not classified as hazardous under major regulatory frameworks. Storage recommendations typically include protection from moisture and light to maintain stability. These details align with frequently searched queries about chemical storage best practices and material compatibility.

In summary, Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate (CAS No. 108128-12-7) represents a versatile intermediate with expanding applications in life sciences and material innovation. Its relevance to drug discovery, sustainable synthesis, and emerging technologies positions it as a compound of enduring scientific and industrial interest.

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