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CS-W001157 4
Total: USD 88.00

2-(2-Cyanopropan-2-yl)isonicotinic acid

  • CAS No. 872091-92-4

  • Cat. No. CS-0513689
  • Molecule weight190.20
  • Purity≥98%
  • MDL No.None

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

2-(2-Cyanopropan-2-yl)isonicotinic acid|CS-0513689

Structure of 872091-92-4

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General Information

  • CAS No. 872091-92-4
  • Cat. No. CS-0513689
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₂
  • Molecular Weight 190.20
  • Synonym(s) None
  • SMILES O=C(C1=CC(C(C)(C#N)C)=NC=C1)O

Description

This cyanopropanyl isonicotinic acid features a sterically hindered nitrile group flanking a pyridine ring, enabling robust conjugation and enhanced metabolic stability. The para-positioned carboxylic acid facilitates direct coupling to biomolecules or resins under standard conditions, while the electron-deficient pyridine core supports selective reactivity in transition-metal-catalyzed transformations.

Application

2-(2-Cyanopropan-2-yl)isonicotinic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized pyridine scaffolds. Its tertiary nitrile group provides robust stability and facilitates downstream transformations such as hydrolysis or nucleophilic addition. The molecule exhibits excellent bench stability, clean reaction profiles, and compatibility with standard coupling protocols, making it well-suited for parallel synthesis and API intermediate development.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   73.98
  • LogP   1.58098
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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