8-bromo-7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

HCID 57799403
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(-c2ccc(Cl)cc2)c(Br)c2n[nH]c(=O)n12
InChIKey
ZYYLWZGSWDZPEM-UHFFFAOYSA-N
Molecular formula
C13H9BrClN3O
Average molar mass
338.59 g/mol

Names & identifiers

Preferred name
8-bromo-7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
IUPAC
8-bromo-7-(4-chlorophenyl)-5-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Names & synonyms

SCHEMBL4484113ZYYLWZGSWDZPEM-UHFFFAOYSA-N8-bromo-7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

Database identifiers

PubChem CID
57799403

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

Related reactions

8 records
New reaction record

Compound notes

Loading…