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Ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate - 95%, high purity , CAS No.252959-76-5
Basic Description
Synonyms
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate | 252959-76-5 | Peakdale1_000021 | SCHEMBL123322 | HMS518A21 | DTXSID40382190 | MFCD00202892 | 1,8-Naphthyridine-3-carboxylicacid,2-(trifluoromethyl)-,ethylester(9CI) | AKOS023117294 | PS-6349 | CS-0088350 | E84055 | SR-0
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Naphthyridines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthyridine carboxylic acids and derivatives
Alternative Parents
Pyridinecarboxylic acids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.
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
Pubchem Sid
504762074
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504762074
IUPAC Name
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
INCHI
InChI=1S/C12H9F3N2O2/c1-2-19-11(18)8-6-7-4-3-5-16-10(7)17-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKey
XKMRJSFJQOOMKF-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(N=C2C(=C1)C=CC=N2)C(F)(F)F
Isomeric SMILES
CCOC(=O)C1=C(N=C2C(=C1)C=CC=N2)C(F)(F)F
Molecular Weight
270.2
Reaxy-Rn
8419040
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8419040&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.210 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
270.062 Da
Monoisotopic Mass
270.062 Da
Topological Polar Surface Area
52.100 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
335.000
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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