Compound Identification
SMILES
COC1=CC=CC(=C1)C1=NC2=C(Br)C=NN2C(=C1)C([O-])=O
InChIKey
InChIKey=JIMWGBLCHYWEAS-UHFFFAOYSA-M
Formula
C14H9BrN3O3
Mass
347.149
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Pyrimidinecarboxylic acids Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aryl bromides Pyrazoles Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Organic anions
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 - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid salt - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic anion - 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