methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate


Chemical Name: methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate
CAS Number: 1130344-76-1
Product Number: AG0090ZM(AGN-PC-0WADQJ)
Synonyms:
MDL No:
Molecular Formula: C8H4Cl2F3NO2
Molecular Weight: 274.0241

Identification/Properties


Computed Properties
Molecular Weight:
274.02g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
272.957g/mol
Monoisotopic Mass:
272.957g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
275
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



Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate is a versatile compound that finds its primary application in chemical synthesis. With its unique structure containing both chloro and trifluoromethyl groups, this compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and materials. The presence of the chloro and trifluoromethyl substituents imparts enhanced reactivity and selectivity to this compound, making it a valuable tool for synthetic chemists. In organic synthesis, it can be utilized as a key intermediate for the preparation of various functionalized molecules through cross-coupling reactions, nucleophilic substitutions, and other transformations. Its strategic placement of functional groups allows for efficient derivatization and modification to access diverse chemical entities. Additionally, the presence of the nicotinate moiety further expands the scope of its applications, enabling the incorporation of this scaffold into bioactive compounds or chelating agents. In summary, the unique structural features of Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate make it a valuable tool in chemical synthesis for the construction of complex molecules with potential applications in pharmaceutical and agrochemical industries.