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CS-W001157 4
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2-(2-Chloropyridin-4-yl)acetonitrile

  • CAS No. 1000565-45-6

  • Cat. No. CS-0179758
  • Purity≥97%
  • MDL No.MFCD09923811

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

2-(2-Chloropyridin-4-yl)acetonitrile|CS-0179758

Structure of 1000565-45-6

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General Information

  • CAS No. 1000565-45-6
  • Cat. No. CS-0179758
  • Purity ≥97%
  • MDL No. MFCD09923811
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂
  • Molecular Weight 152.58
  • Synonym(s) 2-(2-Chloro-4-pyridyl)acetonitrile
  • SMILES N#CCC1=CC(Cl)=NC=C1

Description

2-(2-Chloropyridin-4-yl)acetonitrile features a chlorinated pyridine ring linked to a nitrile-bearing acetyl side chain, enabling integration into diverse heterocyclic syntheses. The electron-deficient pyridine moiety enhances reactivity in nucleophilic substitution and metal-catalyzed coupling processes. This bench-stable compound serves as a key intermediate in pharmaceutical and agrochemical development, offering predictable regioselectivity and compatibility with standard reaction conditions.

Application

2-(2-Chloropyridin-4-yl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyridine-based heterocycles. Its nitrile group facilitates nucleophilic addition and subsequent transformations, while the chloropyridine moiety supports palladium-catalyzed cross-coupling reactions. The compound exhibits bench stability, moderate solubility, and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.80108
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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