Compound Identification
SMILES
BrC1=NC=C(C=C1C#N)N1C[C@@H]2CNC[C@H]12
InChIKey
InChIKey=KQMSAFWRVJCRPS-WPRPVWTQSA-N
Formula
C11H11BrN4
Mass
279.141
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
Dialkylarylamines Aminopyridines and derivatives 2-halopyridines 1,4-diazepanes Aryl bromides Pyrrolidines Heteroaromatic compounds Azetidines Nitriles Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-pyridinecarbonitrile - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1,4-diazepane - 2-halopyridine - Aminopyridine - Diazepane - Aryl bromide - Aryl halide - Heteroaromatic compound - Pyrrolidine - Azetidine - Tertiary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Azacycle - Secondary amine - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Aromatic heteropolycyclic 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