Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NC2=C(Br)C=NN2C(=C1)C(O)=O
InChIKey
InChIKey=JIMWGBLCHYWEAS-UHFFFAOYSA-N
Formula
C14H10BrN3O3
Mass
348.156
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Pyrimidinecarboxylic acids Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aryl bromides Pyrazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrimidine-6-carboxylic acid - Pyrazolo[1,5-a]pyrimidine - Pyrimidine-6-carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen 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