Compound Identification
SMILES
CCOC1=C(Br)N=C(C=C1)C([O-])=O
InChIKey
InChIKey=NUJNGGDUMMRMFJ-UHFFFAOYSA-M
Formula
C8H7BrNO3
Mass
245.053
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Level 5
Pyridinecarboxylic acids
-
Level 6
Pyridine-2-carboxylic acids
- Level 7 5-alkoxy-2-carboxypyrimidines
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Level 6
Pyridine-2-carboxylic acids
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Level 5
Pyridinecarboxylic acids
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent
5-alkoxy-2-carboxypyrimidines
Alternative Parents
Alkyl aryl ethers 2-halopyridines Aryl bromides Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkoxy-2-carboxypyrimidine - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Ether - Organic nitrogen compound - Organic oxygen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring.
External Descriptors
Not available