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

HCID 57799438

Basic information

CAS
917969-42-7
Standard SMILES
O=c1[nH]nc2c(Br)c(-c3ccc(Cl)cc3)ccn12
InChIKey
FGKAZWWIPJUROD-UHFFFAOYSA-N
Molecular formula
C12H7BrClN3O
Average molar mass
324.56 g/mol
Monoisotopic mass
322.9461

Names & identifiers

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

Names & synonyms

917969-42-7SCHEMBL4485857DTXSID40727941FGKAZWWIPJUROD-UHFFFAOYSA-N8-Bromo-7-(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneDB-2081518-bromo-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one8-Bromo-7-(4-chlorophenyl)-1,2,4-triazolo[4,3-a]pyridin-3(2h)-one

Database identifiers

CAS
917969-42-7
PubChem CID
57799438
DTXSID
DTXSID40727941

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18

Related reactions

8 records

Compound notes

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