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3-Chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid

  • CAS No. 1386986-10-2

  • Cat. No. CS-0337469
  • Purity95+%
  • MDL No.None

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

3-Chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid|CS-0337469

Structure of 1386986-10-2

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General Information

  • CAS No. 1386986-10-2
  • Cat. No. CS-0337469
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₂
  • Molecular Weight 196.59
  • Synonym(s) None
  • SMILES C1=CC(=NC2=C1C(=CN2)Cl)C(=O)O

Synthesis

  • Route1

    References

    • NOVARTIS AG; HURTH, Konstanze; LUEOEND, Rainer Martin; MACHAUER, Rainer; NEUMANN, Ulf; RUEEGER, Heinrich; SCHAEFER, Michael; TINTELNOT-BLOMLEY, Marina; VEENSTRA, Siem Jacob; VOEGTLE, Markus Patent: WO2012/95463 A1, 2012 ; Location in patent: Page/Page column 80-81 ;
  • Route2

    References

    • NOVARTIS AG; HURTH, Konstanze; LUEOEND, Rainer Martin; MACHAUER, Rainer; NEUMANN, Ulf; RUEEGER, Heinrich; SCHAEFER, Michael; TINTELNOT-BLOMLEY, Marina; VEENSTRA, Siem Jacob; VOEGTLE, Markus Patent: WO2012/95463 A1, 2012 ;
  • Route3

    References

    • NOVARTIS AG; HURTH, Konstanze; LUEOEND, Rainer Martin; MACHAUER, Rainer; NEUMANN, Ulf; RUEEGER, Heinrich; SCHAEFER, Michael; TINTELNOT-BLOMLEY, Marina; VEENSTRA, Siem Jacob; VOEGTLE, Markus Patent: WO2012/95463 A1, 2012 ;

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-P330-P362+P364-P405-P501

Quality Control

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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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