Basic information
- Standard SMILES
O=c1n(CCC(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)ccn12- InChIKey
QPKNDAMEDVOCLO-UHFFFAOYSA-N- Molecular formula
- C21H14Cl2F3N3O
- Average molar mass
- 452.3 g/mol
Names & identifiers
- Preferred name
- 7,8-bis(4-chlorophenyl)-2-(3,3,3-triflouropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7,8-bis(4-chlorophenyl)-2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
7,8-bis(4-chlorophenyl)-2-(3,3,3-triflouropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4468438
Database identifiers
- PubChem CID
- 57799442
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 764
Related reactions
1 records
Compound notes
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