C158H219Cl2F20N15O2 — CID 161309074
5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 161309074) has the molecular formula C158H219Cl2F20N15O2 and a molecular weight of 2811.46 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine.
| Compound Name | 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine |
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| PubChem CID | 161309074 |
| Molecular Formula | C158H219Cl2F20N15O2 |
| Molecular Weight | 2811.46 g/mol |
| Exact Mass | 2808.66 |
| IUPAC Name | 5-tert-butyl-2-chloro-3-methylpyridine;5-tert-butyl-2-fluoro-3-(2-fluoropropan-2-yl)pyridine;5-tert-butyl-3-(2-fluoropropan-2-yl)-2-methylpyridine;2-tert-butyl-4-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-(2-fluoropropan-2-yl)pyridine;3-tert-butyl-5-methoxypyridine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;5-methoxy-2-propan-2-yl-4-(trifluoromethyl)pyridine;bis(2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine);5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine |
| SMILES | CC(C)(C)c1cc(C(C)(C)F)ccn1.CC(C)(C)c1cnc(F)c(C(C)(C)F)c1.CC(C)(C)c1cncc(C(C)(C)F)c1.CC(C)c1cc(C(F)(F)F)c(Cl)cn1.COc1cnc(C(C)C)cc1C(F)(F)F.COc1cncc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)cn1.Cc1ccnc(C(C)(C)C)c1.Cc1cnc(C(C)C)cc1C(F)(F)F.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)cc1C(C)(C)F.Cc1ncc(C(C)C)cc1C(F)(F)F.Cc1ncc(C(C)C)cc1C(F)(F)F |
| InChI | InChI=1S/C13H20FN.C12H17F2N.2C12H18FN.C10H14ClN.C10H12F3NO.3C10H12F3N.C10H15NO.4C10H15N.C9H9ClF3N/c1-9-11(13(5,6)14)7-10(8-15-9)12(2,3)4;1-11(2,3)8-6-9(12(4,5)14)10(13)15-7-8;1-11(2,3)9-6-10(8-14-7-9)12(4,5)13;1-11(2,3)10-8-9(6-7-14-10)12(4,5)13;1-7-5-8(10(2,3)4)6-12-9(7)11;1-6(2)8-4-7(10(11,12)13)9(15-3)5-14-8;2*1-6(2)8-4-9(10(11,12)13)7(3)14-5-8;1-6(2)9-4-8(10(11,12)13)7(3)5-14-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-8-5-9(7-11-6-8)10(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-11-9(7-8)10(2,3)4;1-5(2)8-3-6(9(11,12)13)7(10)4-14-8/h7-8H,1-6H3;6-7H,1-5H3;2*6-8H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3 |
| InChIKey | VIQJBASHBFQJBP-UHFFFAOYSA-N |
| XLogP | 48.97 |
| TPSA | 211.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2811.46 |
| LogP ≤ 5 | 48.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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