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CS-W001157 4
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5-Chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

  • CAS No. 800401-63-2

  • Cat. No. CS-0053831
  • Purity≥97%
  • MDL No.None

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

5-Chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid|CS-0053831

Structure of 800401-63-2

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General Information

  • CAS No. 800401-63-2
  • Cat. No. CS-0053831
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₂
  • Molecular Weight 196.59
  • Synonym(s) 5-chloro-1H-pyrrolo[3,2-b ]pyridine-2-carboxylic acid
  • SMILES O=C(C1=CC2=NC(Cl)=CC=C2N1)O

Synthesis

  • Route1
    • In-stock
      2-Bromo-6-chloropyridin-3-amine|CS-0054821
      1050501-88-6
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • ~83%
    • In-stock
      5-Chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid|CS-0053831
      800401-63-2

    References

    • JANSSEN RandD IRELAND; TAHRI, Abdellah; JONCKERS, Tim Hugo Maria; RABOISSON, Pierre Jean-Marie Bernard; VENDEVILLE, Sandrine Marie Helene; HU, Lili; DEMIN, Samuël Dominique; Cooymans, Ludwig Paul Patent: WO2013/186333 A1, 2013 ; Location in patent: Page/Page column 102; 103 ;
  • Route2

    References

    • WO2012/80450 A1, ;

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-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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