C146H210Cl4F9N15O11 — CID 159963311
5-tert-butyl-3-chloro-2-methoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;3-tert-butyl-6-ethoxy-2-methylpyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine (PubChem CID 159963311) has the molecular formula C146H210Cl4F9N15O11 and a molecular weight of 2664.17 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-methoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;3-tert-butyl-6-ethoxy-2-methylpyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine.
| Compound Name | 5-tert-butyl-3-chloro-2-methoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;3-tert-butyl-6-ethoxy-2-methylpyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine |
|---|---|
| PubChem CID | 159963311 |
| Molecular Formula | C146H210Cl4F9N15O11 |
| Molecular Weight | 2664.17 g/mol |
| Exact Mass | 2660.49 |
| IUPAC Name | 5-tert-butyl-3-chloro-2-methoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;3-tert-butyl-6-ethoxy-2-methylpyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxypyrimidine;5-tert-butyl-2-ethoxy-3-(trifluoromethyl)pyridine;3-tert-butyl-2-fluoro-6-methoxypyridine;5-tert-butyl-3-fluoro-2-methoxypyridine;3-tert-butyl-2-fluoro-6-(trifluoromethyl)pyridine;3-tert-butyl-6-methoxy-2-methylpyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine |
| SMILES | CC(C)(C)c1ccc(C(F)(F)F)nc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(Cl)nc1Cl.CCOc1ccc(C(C)(C)C)c(C)n1.CCOc1ncc(C(C)(C)C)cc1C.CCOc1ncc(C(C)(C)C)cc1C(F)(F)F.CCOc1ncc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccn1.COc1ccc(C(C)(C)C)c(C)n1.COc1ccc(C(C)(C)C)c(F)n1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cc1C.COc1ncc(C(C)(C)C)cc1Cl.COc1ncc(C(C)(C)C)cc1F |
| InChI | InChI=1S/C12H16F3NO.2C12H19NO.2C11H17NO.C10H14ClNO.C10H11F4N.2C10H14FNO.C10H16N2O.2C10H15NO.C9H11Cl2N.C9H12ClN/c1-5-17-10-9(12(13,14)15)6-8(7-16-10)11(2,3)4;1-6-14-11-9(2)7-10(8-13-11)12(3,4)5;1-6-14-11-8-7-10(9(2)13-11)12(3,4)5;1-8-6-9(11(2,3)4)7-12-10(8)13-5;1-8-9(11(2,3)4)6-7-10(12-8)13-5;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-9(2,3)6-4-5-7(10(12,13)14)15-8(6)11;1-10(2,3)7-5-8(11)9(13-4)12-6-7;1-10(2,3)7-5-6-8(13-4)12-9(7)11;1-5-13-9-11-6-8(7-12-9)10(2,3)4;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-9(2,3)6-4-5-7(10)12-8(6)11;1-9(2,3)7-4-5-8(10)11-6-7/h6-7H,5H2,1-4H3;2*7-8H,6H2,1-5H3;2*6-7H,1-5H3;5-6H,1-4H3;4-5H,1-3H3;2*5-6H,1-4H3;6-7H,5H2,1-4H3;2*5-7H,1-4H3;4-5H,1-3H3;4-6H,1-3H3 |
| InChIKey | ODPKZJYOTBQFQF-UHFFFAOYSA-N |
| XLogP | 40.66 |
| TPSA | 294.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2664.17 |
| LogP ≤ 5 | 40.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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