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
- Formal charge
- 0
- Complexity
- 478
Related reactions
8 records
Compound notes
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