5-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole
Basic information
- Standard SMILES
Cn1nc(-c2c(F)cccc2F)nc1-c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1- InChIKey
XCSRFCNHTCVAKB-UHFFFAOYSA-N- Molecular formula
- C21H12ClF5N4O
- Average molar mass
- 466.8 g/mol
- Monoisotopic mass
- 466.0619795
Names & identifiers
- Preferred name
- 5-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole
- IUPAC
- 2-[2-chloro-4-[5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]-5-(trifluoromethyl)pyridine
Names & synonyms
5-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazoleSCHEMBL82988995-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463674
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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