Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

Name: Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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CAS No. 394223-02-0
Cat. No. CS-D0719
Purity≥95%
MDL No.MFCD08752938

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Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate|CS-D0719

Structure of 394223-02-0

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General Information

CAS No. 394223-02-0
Cat. No. CS-D0719
Purity ≥95%
MDL No. MFCD08752938
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂O₂
Molecular Weight None
Synonym(s) 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, methyl ester
SMILES O=C(OC)C1=CC2=CC=CN=C2N1

Description

Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate is a heteroaromatic ester featuring a fused pyrrole-pyridine core with enhanced electron density at the pyrrole ring. This scaffold serves as a key building block in medicinal chemistry, integrating readily into biologically active compounds through C–H functionalization or cross-coupling reactions. Its bench-stable nature and solubility in common organic solvents streamline synthetic workflows.

Application

Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its pyrrolopyridine core enables efficient functionalization at the carboxylate and nitrogen positions, facilitating coupling reactions, derivatization, and incorporation into bioactive scaffolds. The methyl ester group offers bench stability and compatibility with standard synthetic protocols, while the fused ring system provides rigidity and defined electronic properties valuable in drug discovery and catalyst design.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 54.98
LogP 1.3495
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate

CAS No. 394223-02-0

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