Compound Identification
SMILES
FC1=CC(Cl)=C(C=C1)C1=NC=NC2=C1C=CN=C2C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=JLCLUORITPBOHT-UHFFFAOYSA-N
Formula
C19H9Cl3FN3
Mass
404.65
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Phenylpyridines Pyrido[3,4-d]pyrimidines Dichlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyridine - 4-phenylpyrimidine - Pyrido[3,4-d]pyrimidine - Pyridopyrimidine - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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