Compound Identification
SMILES
NCCC(OC1=C(C=CC(=N1)C(F)(F)F)C#N)C1=NC=CO1
InChIKey
InChIKey=KJCALSCYOYQNAP-UHFFFAOYSA-N
Formula
C13H11F3N4O2
Mass
312.252
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass 3-pyridinecarbonitriles
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
3-pyridinecarbonitriles
Intermediate Tree Nodes
Not available
Direct Parent
3-pyridinecarbonitriles
Alternative Parents
Aralkylamines Alkyl aryl ethers Oxazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-pyridinecarbonitrile - Alkyl aryl ether - Aralkylamine - Azole - Oxazole - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
External Descriptors
Not available