Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@H]1CCC(=O)C(=C1)C1=CN=C(Cl)C=C1
InChIKey
InChIKey=NBLMRLTXZLJFRN-NSHDSACASA-N
Formula
C16H19ClN2O3
Mass
322.79
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
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Subclass
Halopyridines
- Level 5 2-halopyridines
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Subclass
Halopyridines
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Cyclohexenones Aryl chlorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Cyclohexenone - Aryl chloride - Aryl halide - Carbamic acid ester - Heteroaromatic compound - Ketone - Cyclic ketone - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
External Descriptors
Not available