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CS-W001157 4
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2-Chloro-6-methoxyisonicotinonitrile

  • CAS No. 1256788-36-9

  • Cat. No. CS-0373246
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD18204709

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

2-Chloro-6-methoxyisonicotinonitrile|CS-0373246

Structure of 1256788-36-9

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General Information

  • CAS No. 1256788-36-9
  • Cat. No. CS-0373246
  • Purity ≥97%
  • MDL No. MFCD18204709
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O
  • Molecular Weight None
  • Synonym(s) None
  • SMILES N#CC1=CC(Cl)=NC(OC)=C1

Description

2-Chloro-6-methoxyisonicotinonitrile features a strategically positioned nitrile group and electron-withdrawing chlorine, enabling efficient coupling in heterocyclic synthesis. The methoxy substituent enhances solubility and modulates reactivity under standard conditions. This bench-stable building block facilitates access to functionalized pyridine scaffolds in medicinal chemistry and materials development.

Application

2-Chloro-6-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 and nucleophilic substitution, while the methoxy substituent enhances solubility and modulates electronic properties. The compound exhibits excellent bench stability and is compatible with standard synthetic workflows, making it ideal for rapid diversification in API lead optimization.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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