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4-Chloro-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • CAS No. 582300-58-1

  • Cat. No. CS-M2977
  • Purity≥97%
  • MDL No.MFCD11847536

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

4-Chloro-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile|CS-M2977

Structure of 582300-58-1

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General Information

  • CAS No. 582300-58-1
  • Cat. No. CS-M2977
  • Purity ≥97%
  • MDL No. MFCD11847536
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O
  • Molecular Weight 168.58
  • Synonym(s) 4-Chloro-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
  • SMILES O=C1C(C#N)=C(Cl)C=C(C)N1

Description

4-Chloro-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is a bench-stable heterocyclic scaffold featuring a nitrile group and a chloro substituent at electron-rich positions. This pyridinone derivative integrates readily into medicinal chemistry libraries, offering enhanced metabolic stability and favorable solubility for drug discovery applications.

Application

4-Chloro-6-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-based scaffolds via nucleophilic substitution and coupling reactions. Its ortho-functionalized structure supports robust derivatization under mild conditions, with the nitrile and carbonyl groups offering complementary reactivity for downstream transformations. Bench-stable and readily purified by recrystallization, it functions effectively in medicinal chemistry campaigns requiring modular pyridine core construction.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   1.2084
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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