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2-Chloro-3-methoxyisonicotinonitrile

  • CAS No. 1256811-48-9

  • Cat. No. CS-0525818
  • Molecule weight168.58
  • Purity≥98%
  • MDL No.None

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

2-Chloro-3-methoxyisonicotinonitrile|CS-0525818

Structure of 1256811-48-9

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General Information

  • CAS No. 1256811-48-9
  • Cat. No. CS-0525818
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O
  • Molecular Weight 168.58
  • Synonym(s) None
  • SMILES N#CC1=C(OC)C(Cl)=NC=C1

Description

2-Chloro-3-methoxyisonicotinonitrile features a strategically positioned nitrile group flanked by chlorine and methoxy substituents on a pyridine core, enabling selective functionalization in heterocyclic synthesis. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and advanced materials, offering enhanced reactivity under mild conditions.

Application

2-Chloro-3-methoxyisonicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based heterocycles. Its ortho-chloro and nitrile groups facilitate palladium-catalyzed cross-coupling reactions, while the methoxy substituent enhances solubility and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows targeting bioactive scaffolds.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.91
  • LogP   1.61528
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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