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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxylic acids
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Level 6
Pyridine-2-carboxylic acids
- Level 7 5-alkoxy-2-carboxypyrimidines
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Level 6
Pyridine-2-carboxylic acids
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Level 5
Pyridinecarboxylic acids
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Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
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
Trifluoromethylbenzenes Aniline and substituted anilines Alkyl aryl ethers Imidazolines Heteroaromatic compounds Carboxylic acid salts Organic transition metal salts Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Enamines Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organic cations Carbenes
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