C172H229Cl3F21N17O3S — CID 160507782
2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;6-cyclopropyl-2-methyl-3-propan-2-ylpyridine;2-cyclopropyl-6-propan-2-ylpyridine;2-cyclopropyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;bis(2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine);2-(2-methylpropyl)-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160507782) has the molecular formula C172H229Cl3F21N17O3S and a molecular weight of 3120.22 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;6-cyclopropyl-2-methyl-3-propan-2-ylpyridine;2-cyclopropyl-6-propan-2-ylpyridine;2-cyclopropyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;bis(2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine);2-(2-methylpropyl)-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
| Compound Name | 2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;6-cyclopropyl-2-methyl-3-propan-2-ylpyridine;2-cyclopropyl-6-propan-2-ylpyridine;2-cyclopropyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;bis(2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine);2-(2-methylpropyl)-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 160507782 |
| Molecular Formula | C172H229Cl3F21N17O3S |
| Molecular Weight | 3120.22 g/mol |
| Exact Mass | 3116.67 |
| IUPAC Name | 2-tert-butyl-6-propan-2-ylpyridine;2-tert-butylsulfanyl-6-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;6-cyclopropyl-2-methyl-3-propan-2-ylpyridine;2-cyclopropyl-6-propan-2-ylpyridine;2-cyclopropyl-3-propan-2-yl-6-(trifluoromethyl)pyridine;3,5-dichloro-2-propan-2-ylpyridine;2-ethoxy-6-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;bis(2-methyl-3-propan-2-yl-6-(trifluoromethyl)pyridine);2-(2-methylpropyl)-6-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine |
| SMILES | CC(C)Cc1cccc(C(C)C)n1.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1C1CC1.CC(C)c1ccc(Cl)cn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(C2CC2)n1.CC(C)c1cccc(SC(C)(C)C)n1.CC(C)c1ncc(Cl)cc1Cl.CCOc1cccc(C(C)C)n1.COc1ccc(C(C)C)c(C)n1.COc1cccc(C(C)C)n1.Cc1nc(C(F)(F)F)ccc1C(C)C.Cc1nc(C(F)(F)F)ccc1C(C)C.Cc1nc(C2CC2)ccc1C(C)C |
| InChI | InChI=1S/C12H14F3N.C12H19NS.C12H17N.2C12H19N.C11H15N.2C10H12F3N.2C10H15NO.4C9H10F3N.C9H13NO.C8H9Cl2N.C8H10ClN/c1-7(2)9-5-6-10(12(13,14)15)16-11(9)8-3-4-8;1-9(2)10-7-6-8-11(13-10)14-12(3,4)5;1-8(2)11-6-7-12(10-4-5-10)13-9(11)3;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-9(2)8-11-6-5-7-12(13-11)10(3)4;1-8(2)10-4-3-5-11(12-10)9-6-7-9;2*1-6(2)8-4-5-9(10(11,12)13)14-7(8)3;1-7(2)9-5-6-10(12-4)11-8(9)3;1-4-12-10-7-5-6-9(11-10)8(2)3;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)8-5-4-6-9(10-8)11-3;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)8-4-3-7(9)5-10-8/h5-8H,3-4H2,1-2H3;6-9H,1-5H3;6-8,10H,4-5H2,1-3H3;6-9H,1-5H3;5-7,9-10H,8H2,1-4H3;3-5,8-9H,6-7H2,1-2H3;2*4-6H,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4*3-6H,1-2H3;4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3 |
| InChIKey | QSQHIWNGNLHZRO-UHFFFAOYSA-N |
| XLogP | 55.25 |
| TPSA | 246.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 217 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3120.22 |
| LogP ≤ 5 | 55.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |