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5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

  • CAS No. 1203498-99-0

  • Cat. No. CS-0018861
  • Purity≥97%
  • MDL No.MFCD13563088

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

5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid|CS-0018861

Structure of 1203498-99-0

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General Information

  • CAS No. 1203498-99-0
  • Cat. No. CS-0018861
  • Purity ≥97%
  • MDL No. MFCD13563088
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₂
  • Molecular Weight 196.59
  • Synonym(s) None
  • SMILES O=C(C1=CNC2=NC=C(Cl)C=C21)O

Description

5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid features a fused heterocyclic core with a chlorine substituent at the 5-position and a carboxylic acid group at the 3-position. This electron-deficient scaffold integrates readily into medicinal chemistry campaigns, offering enhanced metabolic stability and favorable binding interactions in target-directed synthesis.

Application

5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid serves as a versatile building block for the synthesis of bioactive heterocycles, particularly in medicinal chemistry and agrochemical research. Its structure features a chlorinated pyrrolopyridine core with a carboxylic acid functional group, enabling direct coupling reactions and derivatization via amide formation or esterification. The molecule exhibits good bench stability and facilitates efficient incorporation into complex scaffolds due to its well-defined reactivity and compatibility with standard synthetic protocols.

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   65.98
  • LogP   1.9145
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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