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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)isonicotinaldehyde

  • CAS No. 1060801-92-4

  • Cat. No. CS-0157351
  • Purity≥98%
  • MDL No.MFCD09834785

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

3-(Trifluoromethyl)isonicotinaldehyde|CS-0157351

Structure of 1060801-92-4

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General Information

  • CAS No. 1060801-92-4
  • Cat. No. CS-0157351
  • Purity ≥98%
  • MDL No. MFCD09834785
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO
  • Molecular Weight 175.11
  • Synonym(s) 3-Trifluoromethyl-pyridine-4-carbaldehyde
  • SMILES C1=C(C=O)C(=CN=C1)C(F)(F)F

Description

3-(Trifluoromethyl)isonicotinaldehyde features a trifluoromethyl group flanking an aldehyde-bearing pyridine ring, delivering enhanced electron-withdrawing character and metabolic stability. This configuration enables direct incorporation into bioactive scaffolds, particularly in kinase inhibitor design and fluorescent probe development. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating straightforward handling in synthetic workflows.

Application

3-(Trifluoromethyl)isonicotinaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles via coupling and condensation reactions. Its electron-deficient pyridine ring enhances reactivity in nucleophilic additions and facilitates transition-metal-catalyzed transformations. The trifluoromethyl group imparts metabolic stability and modulates lipophilicity, making it valuable for optimizing pharmacokinetic properties. Bench-stable and compatible with standard purification methods, it functions reliably in multistep syntheses.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.9129
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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