Compound Identification
SMILES
CC1=NC=C(CO)C(C=O)=C1O.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
InChIKey=WMMCXMVMSVOKOF-UHFFFAOYSA-N
Formula
C25H27F3N2O4
Mass
476.496
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridine carboxaldehydes
- Level 5 Pyridoxals and derivatives
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Subclass
Pyridine carboxaldehydes
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridine carboxaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxals and derivatives
Alternative Parents
Trifluoromethylbenzenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Aryl-aldehydes Hydroxypyridines Methylpyridines Heteroaromatic compounds Vinylogous acids Dialkylamines Azacyclic compounds Aromatic alcohols Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Primary alcohols
Molecular Framework
Not available
Substituents
Pyridoxal - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Hydroxypyridine - Aryl-aldehyde - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Azacycle - Secondary aliphatic amine - Secondary amine - Ether - Aldehyde - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Aromatic alcohol - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
External Descriptors
Not available