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ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate - 97%, high purity , CAS No.850864-57-2
Discover ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate by Aladdin Scientific in 97% for only $5,254.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Ethyl 6-chloro-5-(trifluoromethyl)picolinate | 850864-57-2 | Ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate | Ethyl 6-chloro-5-(trifluoromethyl)-2-pyridinecarboxylate | MFCD23106414 | Ethyl6-chloro-5-(trifluoromethyl)picolinate | SCHEMBL5432959 | DTXSID507437
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent
5-alkyl-2-carboxypyrimidines
Alternative Parents
2-halopyridines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
ethyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
INCHI
InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)6-4-3-5(7(10)14-6)9(11,12)13/h3-4H,2H2,1H3
InChIKey
MZFYHQVXTYZCSY-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=NC(=C(C=C1)C(F)(F)F)Cl
Isomeric SMILES
CCOC(=O)C1=NC(=C(C=C1)C(F)(F)F)Cl
Molecular Weight
253.61
Reaxy-Rn
12301015
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12301015&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
253.600 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
253.012 Da
Monoisotopic Mass
253.012 Da
Topological Polar Surface Area
39.200 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
260.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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