Structure Information
Structure

Compound Identification

SMILES

[Ir+3].COC1=CN=C(C=C1)C([O-])=O.CN1[C]N(C=C1)C1=CC=C(C=[C-]1)C(F)(F)F.CN1[C]N(C=C1)C1=CC=C(C=[C-]1)C(F)(F)F

InChIKey

InChIKey=KDBFYLZFAOTAIT-UHFFFAOYSA-M

Formula

C29H22F6IrN5O3

Mass

794.734

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Pyridinecarboxylic acids and derivatives

Intermediate Tree Nodes

Pyridinecarboxylic acids - Pyridine-2-carboxylic acids

Direct Parent

5-alkoxy-2-carboxypyrimidines

Alternative Parents

Molecular Framework

Not available

Substituents

5-alkoxy-2-carboxypyrimidine - Trifluoromethylbenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 4-imidazoline - Heteroaromatic compound - Carboxylic acid salt - Monocarboxylic acid or derivatives - Azacycle - Organic transition metal salt - Organic metal halide - Enamine - Carboxylic acid derivative - Ether - Carboxylic acid - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbene - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 5-alkoxy-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkoxy substituent at the 5-position of the pyridine ring.

External Descriptors

Not available

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