Compound Identification
SMILES
[O-]C(=O)C1=C(Cl)C=C(C=N1)C(F)(F)F
InChIKey
InChIKey=HXRMCZBDTDCCOP-UHFFFAOYSA-M
Formula
C7H2ClF3NO2
Mass
224.54
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-alkyl-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-alkyl-2-carboxypyrimidines
Alternative Parents
Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - Aryl chloride - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
External Descriptors
Not available