3-(3,4-Dimethoxy-phenyl)-1-(3-nitro-benzyl)-1H-pyrrolo[2,3-b]pyridine

HCID 57891754
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cn(Cc3cccc([N+](=O)[O-])c3)c3ncccc23)cc1OC
InChIKey
UWEZKXFYZRBLLZ-UHFFFAOYSA-N
Molecular formula
C22H19N3O4
Average molar mass
389.4 g/mol

Names & identifiers

Preferred name
3-(3,4-Dimethoxy-phenyl)-1-(3-nitro-benzyl)-1H-pyrrolo[2,3-b]pyridine
IUPAC
3-(3,4-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrrolo[2,3-b]pyridine

Names & synonyms

SCHEMBL4335708UWEZKXFYZRBLLZ-UHFFFAOYSA-N3-(3,4-Dimethoxy-phenyl)-1-(3-nitro-benzyl)-1H-pyrrolo[2,3-b]pyridine

Database identifiers

PubChem CID
57891754

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

Loading…