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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-Pyridinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-

OC(=O)c1c(Cl)nccc1C(F)(F)F Request for Quotation
Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-
CAS Number: 590371-81-6
Product Number: AG003GWH(AGN-PC-00FT47)
Synonyms:
MDL No:
Molecular Formula: C7H3ClF3NO2
Molecular Weight: 225.5524

Identification/Properties

Properties
MP:
158-159°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
225.551g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
224.98g/mol
Monoisotopic Mass:
224.98g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
234
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+H312-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid is a versatile compound that finds wide application in chemical synthesis. It serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its unique structural features and reactivity. Specifically, this compound is frequently employed in the formation of heterocyclic compounds, which are prevalent in many biologically active molecules and complex chemical structures. Its chloro and trifluoromethyl substituents enable selective functionalization and modification of the pyridine ring, making it a valuable tool for chemists in the design and synthesis of novel compounds. Additionally, 2-Chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid is known for its ability to participate in diverse chemical reactions, including cross-coupling reactions, nucleophilic substitutions, and cyclization reactions, further expanding its utility in chemical synthesis.