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Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • CAS No. 952182-19-3

  • Cat. No. CS-0040192
  • Purity≥98%
  • MDL No.MFCD09841660

*For research and further manufacturing use only, not for direct human use.

Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate|CS-0040192

Structure of 952182-19-3

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General Information

  • CAS No. 952182-19-3
  • Cat. No. CS-0040192
  • Purity ≥98%
  • MDL No. MFCD09841660
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂O₂
  • Molecular Weight 210.62
  • Synonym(s) Methyl 5-chloro-7-azaindole-2-carboxylate
  • SMILES O=C(C1=CC2=CC(Cl)=CN=C2N1)OC

Description

Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is a heterocyclic building block featuring a chlorinated pyrrolopyridine core with a methyl ester at the C2 position. This electron-deficient scaffold integrates readily into medicinal chemistry campaigns, offering enhanced metabolic stability and favorable binding interactions in target-directed synthesis.

Application

Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and process development. The chloro substituent at the 5-position enables palladium-catalyzed cross-coupling reactions, while the ester group facilitates further functionalization via hydrolysis or reduction. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for constructing complex pyrrolopyridine scaffolds in API discovery and synthesis.

Safety Information

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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   2.0029
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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