Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CN=C(Cl)N=C1NC1=CC=CC=C1I

InChIKey

InChIKey=CBKXBHQMLPDCEK-UHFFFAOYSA-N

Formula

C11H7ClIN3O2

Mass

375.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidinecarboxylic acids and derivatives

Direct Parent

Pyrimidinecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine-5-carboxylic acid - Aniline or substituted anilines - Iodobenzene - Aminopyrimidine - Halopyrimidine - 2-halopyrimidine - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl iodide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organoiodide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.

External Descriptors

Not available

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