Cas no 874816-10-1 (2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid)

2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid is a heterocyclic compound featuring a pyridine and pyrimidine core with a trifluoromethyl group and carboxylic acid functionality. This structure imparts unique reactivity and versatility, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the carboxylic acid moiety allows for further derivatization. Its rigid aromatic framework contributes to strong binding affinity in target interactions, particularly in medicinal chemistry applications. The compound is characterized by high purity and stability under standard handling conditions, ensuring reliable performance in synthetic workflows. Its well-defined structure facilitates precise modifications for tailored applications in drug discovery and material science.
2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid structure
874816-10-1 structure
Product Name:2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid
CAS No:874816-10-1
MF:C11H6F3N3O2
MW:269.179452419281
MDL:MFCD06200983
CID:855159
PubChem ID:2783213
Update Time:2025-06-07

2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid
    • 2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid (ACI)
    • 7W-0317
    • 2-(Pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylicacid
    • DTXSID20382512
    • 874816-10-1
    • DB-076976
    • F81392
    • MFCD06200983
    • J-506576
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid,95%
    • ZJB81610
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ,95%
    • 2-(Pyridin-2-yl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid
    • CS-0315507
    • YUBDBOSNEOIDLU-UHFFFAOYSA-N
    • AKOS005071107
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidine carboxylic acid
    • SCHEMBL3216443
    • 2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid
    • MDL: MFCD06200983
    • Inchi: 1S/C11H6F3N3O2/c12-11(13,14)8-6(10(18)19)5-16-9(17-8)7-3-1-2-4-15-7/h1-5H,(H,18,19)
    • InChI Key: YUBDBOSNEOIDLU-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C(F)(F)F)=NC(C2C=CC=CN=2)=NC=1)O

Computed Properties

  • Exact Mass: 269.04100
  • Monoisotopic Mass: 269.04121093g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 338
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • PSA: 75.97000
  • LogP: 2.25560

2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid Security Information

2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(2-Pyridinyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic Acid Pricemore >>

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