Compound Identification
SMILES
CC1=CC(=NC=C1C(SCCCO)C1=C(F)C=CC(F)=C1F)C(O)=O
InChIKey
InChIKey=YLOPWVZEIUIAJE-UHFFFAOYSA-N
Formula
C17H16F3NO3S
Mass
371.37
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
Methylpyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Thioether - Sulfenyl compound - Dialkylthioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxygen compound - Organic oxide - Alcohol - 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