C116H169F7N10O2 — CID 157104690
2-tert-butyl-3-fluoro-6-(2-methylpropyl)pyridine;2-cyclobutyl-6-(2-methylpropyl)pyridine;2-cyclopentyl-6-(2-methylpropyl)pyridine;2-cyclopropyl-6-(2-methylpropyl)pyridine;2-(2,2-dimethylpropyl)-6-ethoxypyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;2-(3-methylbutyl)pyridine;2-methyl-6-(3-methylbutyl)pyridine;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine (PubChem CID 157104690) has the molecular formula C116H169F7N10O2 and a molecular weight of 1868.68 g/mol. Its IUPAC name is 2-tert-butyl-3-fluoro-6-(2-methylpropyl)pyridine;2-cyclobutyl-6-(2-methylpropyl)pyridine;2-cyclopentyl-6-(2-methylpropyl)pyridine;2-cyclopropyl-6-(2-methylpropyl)pyridine;2-(2,2-dimethylpropyl)-6-ethoxypyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;2-(3-methylbutyl)pyridine;2-methyl-6-(3-methylbutyl)pyridine;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine.
| Compound Name | 2-tert-butyl-3-fluoro-6-(2-methylpropyl)pyridine;2-cyclobutyl-6-(2-methylpropyl)pyridine;2-cyclopentyl-6-(2-methylpropyl)pyridine;2-cyclopropyl-6-(2-methylpropyl)pyridine;2-(2,2-dimethylpropyl)-6-ethoxypyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;2-(3-methylbutyl)pyridine;2-methyl-6-(3-methylbutyl)pyridine;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 157104690 |
| Molecular Formula | C116H169F7N10O2 |
| Molecular Weight | 1868.68 g/mol |
| Exact Mass | 1867.33 |
| IUPAC Name | 2-tert-butyl-3-fluoro-6-(2-methylpropyl)pyridine;2-cyclobutyl-6-(2-methylpropyl)pyridine;2-cyclopentyl-6-(2-methylpropyl)pyridine;2-cyclopropyl-6-(2-methylpropyl)pyridine;2-(2,2-dimethylpropyl)-6-ethoxypyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;2-(3-methylbutyl)pyridine;2-methyl-6-(3-methylbutyl)pyridine;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine |
| SMILES | CC(C)CCc1ccccn1.CC(C)Cc1ccc(C(F)(F)F)cn1.CC(C)Cc1ccc(F)c(C(C)(C)C)n1.CC(C)Cc1cccc(C(F)(F)F)n1.CC(C)Cc1cccc(C2CC2)n1.CC(C)Cc1cccc(C2CCC2)n1.CC(C)Cc1cccc(C2CCCC2)n1.CCOc1cccc(CC(C)(C)C)n1.COc1cccc(CC(C)(C)C)n1.Cc1cccc(CCC(C)C)n1 |
| InChI | InChI=1S/C14H21N.C13H20FN.C13H19N.C12H19NO.C12H17N.C11H17NO.C11H17N.2C10H12F3N.C10H15N/c1-11(2)10-13-8-5-9-14(15-13)12-6-3-4-7-12;1-9(2)8-10-6-7-11(14)12(15-10)13(3,4)5;1-10(2)9-12-7-4-8-13(14-12)11-5-3-6-11;1-5-14-11-8-6-7-10(13-11)9-12(2,3)4;1-9(2)8-11-4-3-5-12(13-11)10-6-7-10;1-11(2,3)8-9-6-5-7-10(12-9)13-4;1-9(2)7-8-11-6-4-5-10(3)12-11;1-7(2)5-9-4-3-8(6-14-9)10(11,12)13;1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;1-9(2)6-7-10-5-3-4-8-11-10/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3;6-7,9H,8H2,1-5H3;4,7-8,10-11H,3,5-6,9H2,1-2H3;6-8H,5,9H2,1-4H3;3-5,9-10H,6-8H2,1-2H3;5-7H,8H2,1-4H3;4-6,9H,7-8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-5,8-9H,6-7H2,1-2H3 |
| InChIKey | AGDZLGRMDJHPJS-UHFFFAOYSA-N |
| XLogP | 32.35 |
| TPSA | 147.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1868.68 |
| LogP ≤ 5 | 32.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |