Compound Identification
SMILES
OC1=C(Cl)C=C(F)C(=C1)C1=C(Cl)C(=NC=N1)C(F)(F)F
InChIKey
InChIKey=HVQCNZHDBDFVND-UHFFFAOYSA-N
Formula
C11H4Cl2F4N2O
Mass
327.06
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
P-fluorophenols O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Fluorobenzenes Halopyrimidines Aryl chlorides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organochlorides Organooxygen compounds Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 4-halophenol - 2-halophenol - 2-chlorophenol - 4-fluorophenol - Chlorobenzene - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halopyrimidine - Phenol - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic 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