Basic information
- Standard SMILES
COCn1nc2c(-c3ccc(Cl)cc3)c(Br)ccn2c1=O- InChIKey
YABYUCMEDXHAEC-UHFFFAOYSA-N- Molecular formula
- C14H11BrClN3O2
- Average molar mass
- 368.61 g/mol
Names & identifiers
- Preferred name
- 7-bromo-8-(4-chlorophenyl)-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-bromo-8-(4-chlorophenyl)-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4477234YABYUCMEDXHAEC-UHFFFAOYSA-N7-bromo-8-(4-chlorophenyl)-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799369
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 538
Related reactions
4 records
Compound notes
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