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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile

N#Cc1ccc(nc1)OCC(F)(F)F Request for Quotation
Chemical Name: 6-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile
CAS Number: 159981-18-7
Product Number: AG001RK6(AGN-PC-0KKY0D)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2O
Molecular Weight: 202.1333

Identification/Properties

Computed Properties
Molecular Weight:
202.136g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
202.035g/mol
Monoisotopic Mass:
202.035g/mol
Topological Polar Surface Area:
45.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
233
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-(2,2,2-Trifluoroethoxy)nicotinonitrile is a versatile compound that finds wide application in chemical synthesis as a building block for the production of various complex molecules. Its unique structure, incorporating a trifluoroethoxy group and a nicotinonitrile moiety, enables it to participate in a range of synthetic reactions to generate diverse chemical entities.In organic synthesis, 6-(2,2,2-Trifluoroethoxy)nicotinonitrile can serve as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and materials. The trifluoroethoxy group enhances the compound's lipophilicity and stability, making it particularly useful in drug discovery and development.Additionally, the presence of the nicotinonitrile scaffold provides opportunities for further functionalization through traditional organic transformations, such as nucleophilic substitution, Heck coupling, and Suzuki-Miyaura cross-coupling reactions. This allows chemists to tailor the molecule's properties to meet specific requirements in target-oriented synthesis.Overall, the strategic incorporation of 6-(2,2,2-Trifluoroethoxy)nicotinonitrile into synthetic pathways offers a valuable approach for accessing structurally diverse compounds with potential applications in various fields of chemistry and related disciplines.