6-((8-bromo-7-(4-chlorophenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile

HCID 57799388
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(-c2ccc(Cl)cc2)c(Br)c2nn(Cc3ccc(C#N)cn3)c(=O)n12
InChIKey
YXAPKZGNLRAQMP-UHFFFAOYSA-N
Molecular formula
C20H13BrClN5O
Average molar mass
454.7 g/mol
Monoisotopic mass
452.9992

Names & identifiers

Preferred name
6-((8-bromo-7-(4-chlorophenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile
IUPAC
6-[[8-bromo-7-(4-chlorophenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]methyl]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL4475078YXAPKZGNLRAQMP-UHFFFAOYSA-N6-((8-bromo-7-(4-chlorophenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-2(3H)-yl)methyl)nicotinonitrile

Database identifiers

PubChem CID
57799388

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
72.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

Loading…