Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate


Chemical Name: Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate
CAS Number: 947144-28-7
Product Number: AG006T1B(AGN-PC-0WAI7O)
Synonyms:
MDL No:
Molecular Formula: C9H8F3NO4
Molecular Weight: 251.1593

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
251.161g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
251.041g/mol
Monoisotopic Mass:
251.041g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
422
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



Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate serves as a valuable building block in chemical synthesis, particularly in the development of new pharmaceutical compounds. This compound is commonly used as a starting material or intermediate in the creation of organic molecules with potential biological activity. Incorporating Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate into synthetic pathways enables chemists to introduce specific functional groups, such as hydroxyl and trifluoromethyl moieties, which can impart desired properties or enhance the biological effectiveness of the final product. Its unique structure and reactivity make it a versatile tool for developing novel compounds with potential applications in medicinal chemistry and drug discovery.