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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-​(difluoromethyl)​nicotinic acid

FC(c1ccc(cn1)C(=O)O)F Request for Quotation
Chemical Name: 6-​(difluoromethyl)​nicotinic acid
CAS Number: 913091-98-2
Product Number: AG00IGL3(AGN-PC-0WAKDU)
Synonyms:
MDL No:
Molecular Formula: C7H5F2NO2
Molecular Weight: 173.1169

Identification/Properties

Computed Properties
Molecular Weight:
173.119g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
173.029g/mol
Monoisotopic Mass:
173.029g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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-(Difluoromethyl)nicotinic acid is a highly versatile compound in chemical synthesis due to its unique structure and properties. This compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Its difluoromethyl group imparts desirable properties to the molecules it is incorporated into, making it a popular choice in drug discovery and development.In organic synthesis, 6-(Difluoromethyl)nicotinic acid can act as a key starting material for the synthesis of complex molecules. Its presence can enhance the potency, selectivity, or metabolic stability of the final compound. By leveraging the unique reactivity of the difluoromethyl group, chemists can introduce new functionalities into molecules, leading to the creation of novel compounds with improved properties.Furthermore, the use of 6-(Difluoromethyl)nicotinic acid in chemical synthesis enables the development of more efficient and sustainable synthetic routes. Its compatibility with a variety of reaction conditions and functional groups makes it a valuable tool for synthetic chemists working on cutting-edge research projects. By incorporating this compound into their design strategies, researchers can expedite the synthesis of valuable compounds and drive innovation in the field of organic chemistry.