Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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