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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-Chloro-2-methoxy-4-(trifluoromethyl)pyridine

COc1nccc(c1Cl)C(F)(F)F Request for Quotation
Chemical Name: 3-Chloro-2-methoxy-4-(trifluoromethyl)pyridine
CAS Number: 1227563-79-2
Product Number: AG000JAC(AGN-PC-0WAGYB)
Synonyms:
MDL No:
Molecular Formula: C7H5ClF3NO
Molecular Weight: 211.5689

Identification/Properties

Computed Properties
Molecular Weight:
211.568g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
211.001g/mol
Monoisotopic Mass:
211.001g/mol
Topological Polar Surface Area:
22.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
176
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-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Chloro-2-methoxy-4-(trifluoromethyl)pyridine is a versatile chemical compound used in various chemical synthesis processes. It serves as a key building block in the creation of pharmaceuticals, agrochemicals, and advanced materials due to its unique structural properties and reactivity. In organic synthesis, this compound acts as a valuable intermediate in the production of complex molecules by participating in diverse chemical reactions such as nucleophilic substitutions, palladium-catalyzed coupling reactions, and other transformations. Its trifluoromethyl group enhances the compound's lipophilicity and provides an attractive feature for drug design and discovery. Additionally, the presence of the methoxy and chloro substituents offers synthetic chemists flexibility in modifying the compound to achieve specific molecular targets or functionalities. This compound is instrumental in the preparation of various functionalized heterocycles and fluorinated organic compounds, contributing significantly to the development of new materials with tunable properties and enhanced chemical reactivity.