3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Basic information
- CAS
311799-07-2- Standard SMILES
Fc1cccc(Cl)c1-c1nnc2ccc(C(F)(F)F)cn12- InChIKey
HBDIJLRIZVJIHV-UHFFFAOYSA-N- Molecular formula
- C13H6ClF4N3
- Average molar mass
- 315.65 g/mol
- Monoisotopic mass
- 315.0186375
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Names & synonyms
3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine311799-07-23-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridineCBMicro_019661MLS000718332SCHEMBL6257917CHEMBL2139277DTXSID301326646HMS1616B22HMS2668C14CCG-14953AKOS001699343
Show more names
SMR000290600ST008056BIM-0019753.P001AG-205/36953263SR-01000518662SR-01000518662-1[1,2,4]Triazolo[4,3-a]pyridine, 3-(2-chloro-6-fluorophenyl)-6-(trifluoromethyl)-3-(6-chloro-2-fluorophenyl)-6-(trifluoromethyl)-4-hydro-1,2,4-triazolo[4,3-a]p yridine
Database identifiers
- CAS
311799-07-2- PubChem CID
- 683376
- DTXSID
DTXSID301326646- ChEMBL
CHEMBL2139277
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
Solubility35.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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