Compound Identification
SMILES
F[B-](F)(F)F.OC[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)[N+]1=CC2=CC=CC=C2C(Br)=C1
InChIKey
InChIKey=HYSCRTDOAWPDOX-NMRUWYRNSA-N
Formula
C15H17BBrF4NO4
Mass
442.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Pyridinium derivatives Oxanes Benzenoids Aryl bromides Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Organic metalloid salts Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Aryl bromide - Aryl halide - Oxane - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Oxacycle - Azacycle - Organic metalloid salt - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available