Compound Identification
SMILES
CC1=C2N(C=C1C(O)=O)N=CC(C#N)=C2NC1=C(F)C=C(Br)C=C1
InChIKey
InChIKey=JYUYZBJAYTXNLQ-UHFFFAOYSA-N
Formula
C16H10BrFN4O2
Mass
389.184
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Pyrrole carboxylic acids and derivatives
- Level 5 Pyrrole carboxylic acids
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Subclass
Pyrrole carboxylic acids and derivatives
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrole carboxylic acids
Alternative Parents
Aniline and substituted anilines Aminopyridazines Fluorobenzenes Bromobenzenes Substituted pyrroles Primary aromatic amines Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Amino acids Secondary amines Nitriles Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrole-3-carboxylic acid - Aniline or substituted anilines - Fluorobenzene - Bromobenzene - Halobenzene - Aminopyridazine - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridazine - Primary aromatic amine - Heteroaromatic compound - Vinylogous amide - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxylic acids. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group.
External Descriptors
Not available