Cas no 1005171-96-9 (6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde)

6-Chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. Its key structural features include a reactive aldehyde group and electron-withdrawing substituents (chloro and trifluoromethyl), which enhance its utility in nucleophilic addition and condensation reactions. The trifluoromethyl group contributes to improved metabolic stability and lipophilicity in derived compounds, while the chloro substituent facilitates further functionalization. This compound is particularly valuable in the development of bioactive molecules, serving as an intermediate for herbicides, fungicides, and pharmaceuticals. Its high purity and well-defined reactivity make it a reliable choice for precision synthesis in research and industrial applications.
6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde structure
1005171-96-9 structure
Product Name:6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde
CAS No:1005171-96-9
MF:C7H3ClF3NO
MW:209.553031206131
CID:1128148
PubChem ID:72212198
Update Time:2025-06-07

6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde
    • 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINALDEHYDE
    • PAGQSJGQXPGESR-UHFFFAOYSA-N
    • 1005171-96-9
    • AB67924
    • BS-29903
    • CS-0088884
    • SCHEMBL3783458
    • D74718
    • Inchi： 1S/C7H3ClF3NO/c8-6-1-5(7(9,10)11)4(3-13)2-12-6/h1-3H
    • InChI Key： PAGQSJGQXPGESR-UHFFFAOYSA-N
    • SMILES： ClC1=CC(C(F)(F)F)=C(C=O)C=N1

Computed Properties

  • Exact Mass: 208.985526g/mol
  • Monoisotopic Mass: 208.985526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 209.55g/mol
  • XLogP3: 2.2
  • Topological Polar Surface Area: 30?2

6-chloro-4-(trifluoromethyl)pyridine-3-carbaldehyde Pricemore >>

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