Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(-c3ccc(Cl)cc3)cc(C)n2c1=O- InChIKey
MQTRBCWRFFGORB-UHFFFAOYSA-N- Molecular formula
- C21H15BrClF3N4O
- Average molar mass
- 511.7 g/mol
Names & identifiers
- Preferred name
- 8-bromo-7-(4-chlorophenyl)-5-methyl-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 8-bromo-7-(4-chlorophenyl)-5-methyl-2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
8-bromo-7-(4-chlorophenyl)-5-methyl-2-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4485889
Database identifiers
- PubChem CID
- 57799446
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 835
Related reactions
8 records
Compound notes
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