Compound Identification
SMILES
CC1=CC(N2C(=O)C=C(F)N3C(=O)C=NN=C23)=C(F)C=C1Cl
InChIKey
InChIKey=CKGYNXWUGVUKMI-UHFFFAOYSA-N
Formula
C13H7ClF2N4O2
Mass
324.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Toluenes Pyrimidones Chlorobenzenes Fluorobenzenes 1,2,4-triazines Aryl chlorides Aryl fluorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Fluorobenzene - Halobenzene - Halopyrimidine - Pyrimidone - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Vinylogous halide - Vinylogous amide - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available