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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-Pyridinecarboximidamide, 6-(trifluoromethyl)-, monohydrochloride

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Chemical Name: 3-Pyridinecarboximidamide, 6-(trifluoromethyl)-, monohydrochloride
CAS Number: 221313-11-7
Product Number: AG00BFHS(AGN-PC-0QYQWN)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties

Computed Properties
Molecular Weight:
225.599g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
225.028g/mol
Monoisotopic Mass:
225.028g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
202
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:
2
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H317
Precautionary Statements:
P261-P264-P270-P272-P280-P301+P310+P330-P302+P352-P333+P313-P363-P405-P501
Class:
6.1
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-(Trifluoromethyl)nicotinimidamide hydrochloride serves as a versatile reagent in chemical synthesis, particularly in the field of organic chemistry. This compound is commonly employed as a key intermediate for the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its unique trifluoromethyl group imparts valuable properties to the molecules it is incorporated into, such as enhanced lipophilicity, metabolic stability, and bioactivity. In synthetic applications, 6-(Trifluoromethyl)nicotinimidamide hydrochloride acts as a nucleophilic trifluoromethylating agent, facilitating the introduction of the trifluoromethyl moiety into organic molecules under mild reaction conditions. This allows for the efficient modification of target compounds, leading to the development of novel drug candidates and bioactive molecules with improved properties. Additionally, the hydrochloride salt form of this reagent provides ease of handling and solubility in aqueous environments, making it suitable for a wide range of synthetic transformations in both academic research and industrial settings.