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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)-

3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(trifluoromethyl)-

N#Cc1cc(c[nH]c1=O)C(F)(F)F Request for Quotation
Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(trifluoromethyl)-
CAS Number: 124432-69-5
Product Number: AG000M0T(AGN-PC-002Q18)
Synonyms:
MDL No:
Molecular Formula: C7H3F3N2O
Molecular Weight: 188.1067

Identification/Properties

Computed Properties
Molecular Weight:
188.109g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
188.02g/mol
Monoisotopic Mass:
188.02g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
356
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Hydroxy-5-(trifluoromethyl)nicotinonitrile, also known as $name$, is a versatile compound widely used in chemical synthesis. One of its primary applications is as a key building block in the synthesis of pharmaceuticals and agrochemicals. Due to its unique structure and reactivity, $name$ serves as a valuable intermediate in the production of various biologically active compounds.In organic synthesis, $name$ can undergo a range of transformations such as nucleophilic substitution, oxidation, and reduction reactions. These transformations allow chemists to modify the structure of $name$ and incorporate it into complex molecules with specific functionalities. The trifluoromethyl group in $name$ enhances the compound's lipophilicity and can improve the biological activity of the final products.Moreover, the presence of the hydroxy and nitrile groups in $name$ provides multiple sites for further chemical modification, enabling the synthesis of diverse compounds with tailored properties. By utilizing $name$ in chemical reactions, researchers can access a wide array of structurally diverse molecules for various applications in the pharmaceutical and agrochemical industries.