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3-(Trifluoromethyl)-1,8-naphthyridine - 95%, high purity , CAS No.1261365-77-8
Basic Description
Synonyms
3-(Trifluoromethyl)-1,8-naphthyridine | 1261365-77-8 | DTXSID701281652 | MFCD18374125 | AKOS015852776 | 1,8-Naphthyridine, 3-(trifluoromethyl)- | CS-0338162 | 3-(Trifluoromethyl)-1,8-naphthyridine, AldrichCPR
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Naphthyridines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthyridines
Alternative Parents
Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthyridine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
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
3-(trifluoromethyl)-1,8-naphthyridine
INCHI
InChI=1S/C9H5F3N2/c10-9(11,12)7-4-6-2-1-3-13-8(6)14-5-7/h1-5H
InChIKey
CBAVWUUTLLHPHM-UHFFFAOYSA-N
Smiles
C1=CC2=CC(=CN=C2N=C1)C(F)(F)F
Isomeric SMILES
C1=CC2=CC(=CN=C2N=C1)C(F)(F)F
PubChem CID
50989367
Molecular Weight
198.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
198.140 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
198.04 Da
Monoisotopic Mass
198.04 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
205.000
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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