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CS-W001157 4
Total: USD 88.00

5-Methylnicotinonitrile

  • CAS No. 42885-14-3

  • Cat. No. CS-0062464
  • Purity≥98%
  • MDL No.None

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

5-Methylnicotinonitrile|CS-0062464

Structure of 42885-14-3

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General Information

  • CAS No. 42885-14-3
  • Cat. No. CS-0062464
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂
  • Molecular Weight 118.14
  • Synonym(s) 5-Methylpyridine-3-carbonitrile
  • SMILES N#CC1=CC(C)=CN=C1

Description

5-Methylnicotinonitrile features a pyridine core with strategically positioned methyl and nitrile groups, enabling integration into diverse synthetic scaffolds. The electron-deficient ring facilitates nucleophilic addition reactions, while the nitrile moiety serves as a handle for downstream functionalization. This compound exhibits robust stability under standard bench conditions and demonstrates compatibility with common organic solvents.

Application

5-Methylnicotinonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds via functional group interconversions. Its nitrile and methyl groups provide orthogonal reactivity for late-stage derivatization, including hydrolysis to carboxylic acids or reduction to aldehydes. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, facilitating integration into multi-step synthesis workflows for API development.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-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   36.68
  • LogP   1.2617
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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