A1AZ9
Summary
| Name: | (6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine |
| Formula: | C15 H16 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 295.303 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 6-[2,3-bis(fluoranyl)-5-[(2-fluoranylethylamino)methyl]phenyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(nc(N)c1)c1cc(CNCCF)cc(F)c1F |
| InChI | InChI | 1.06 | InChI=1S/C15H16F3N3/c1-9-4-13(21-14(19)5-9)11-6-10(8-20-3-2-16)7-12(17)15(11)18/h4-7,20H,2-3,8H2,1H3,(H2,19,21) |
| InChIKey | InChI | 1.06 | GBQCWLDIOWZEAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2cc(CNCCF)cc(F)c2F |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(c1)c2cc(CNCCF)cc(F)c2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNCCF |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CNCCF |
