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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)-

2(1H)-Pyridinone, 3-nitro-6-(trifluoromethyl)-

[O-][N+](=O)c1ccc(nc1O)C(F)(F)F Request for Quotation
Chemical Name: 2(1H)-Pyridinone, 3-nitro-6-(trifluoromethyl)-
CAS Number: 117519-07-0
Product Number: AG008S3G(AGN-PC-0N9XYA)
Synonyms:
MDL No:
Molecular Formula: C6H3F3N2O3
Molecular Weight: 208.0948

Identification/Properties

Computed Properties
Molecular Weight:
208.096g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
208.01g/mol
Monoisotopic Mass:
208.01g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
350
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one is a versatile compound widely used in chemical synthesis. Owing to its unique structure and reactivity, this compound serves as a valuable building block in the preparation of various organic molecules. One key application of 3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one is its use as a precursor in the synthesis of pharmaceutical compounds and agrochemicals. The nitro group can be selectively reduced to an amine, providing a key functional group for further derivatization. Additionally, the trifluoromethyl moiety enhances the compound's lipophilicity and can lead to improved pharmacokinetic properties in the final products. Furthermore, the pyridine ring confers aromatic character and can participate in various aromatic substitution reactions, expanding the structural diversity of the synthesized molecules. Overall, the strategic incorporation of 3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one in chemical synthesis enables access to a wide range of biologically active compounds and functional materials.