3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole

HCID 21463687
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Basic information

Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl
InChIKey
PWLGVDXUJFMIBI-UHFFFAOYSA-N
Molecular formula
C21H12Cl2F4N4O
Average molar mass
483.2 g/mol

Names & identifiers

Preferred name
3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole
IUPAC
2-[3-chloro-4-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]-5-(trifluoromethyl)pyridine

Names & synonyms

3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazoleSCHEMBL82995683-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine 2yloxy)phenyl]-1-methyl-1H-1,2,4-triazole

Database identifiers

PubChem CID
21463687

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

2 records
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Compound notes

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