Compound Identification
SMILES
CN1C(Br)=CC=C1C([O-])=O
InChIKey
InChIKey=PKYXJNNPHVMPDQ-UHFFFAOYSA-M
Formula
C6H5BrNO2
Mass
203.016
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Pyrrole carboxylic acids and derivatives
-
Level 5
Pyrrole carboxylic acids
- Level 6 Pyrrole 2-carboxylic acids
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Level 5
Pyrrole carboxylic acids
-
Subclass
Pyrrole carboxylic acids and derivatives
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Pyrrole carboxylic acids
Direct Parent
Pyrrole 2-carboxylic acids
Alternative Parents
N-methylpyrroles Aryl bromides Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-2-carboxylic acid - Aryl bromide - Aryl halide - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
External Descriptors
Not available