PWG
Summary
| Name: | 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine |
| Formula: | C8 H4 F5 N3 |
| Formal charge: | 0 |
| Formula weight: | 237.129 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine |
| OpenEye OEToolkits | 2.0.6 | 3-[bis(fluoranyl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(C(F)(F)F)cccn1c(n2)C(F)F |
| InChI | InChI | 1.03 | InChI=1S/C8H4F5N3/c9-5(10)7-15-14-6-4(8(11,12)13)2-1-3-16(6)7/h1-3,5H |
| InChIKey | InChI | 1.03 | IXNLNZKUZJOGKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)c1nnc2n1cccc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | FC(F)c1nnc2n1cccc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c2nnc(n2c1)C(F)F)C(F)(F)F |
