C151H217Cl4F9N18O9 — CID 159164510
3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-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;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine (PubChem CID 159164510) has the molecular formula C151H217Cl4F9N18O9 and a molecular weight of 2741.31 g/mol. Its IUPAC name is 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-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;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine.
| Compound Name | 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-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;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine |
|---|---|
| PubChem CID | 159164510 |
| Molecular Formula | C151H217Cl4F9N18O9 |
| Molecular Weight | 2741.31 g/mol |
| Exact Mass | 2737.57 |
| IUPAC Name | 3-tert-butyl-2-chloro-6-ethoxypyridine;5-tert-butyl-2-chloropyridine;3-tert-butyl-2,6-dichloropyridine;5-tert-butyl-2-ethoxy-3-methylpyridine;5-tert-butyl-2-ethoxy-4-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;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidin-2-amine |
| SMILES | CC(C)(C)c1ccc(C(F)(F)F)nc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(Cl)nc1Cl.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(N)nc1.CCOc1cc(C)c(C(C)(C)C)cn1.CCOc1ccc(C(C)(C)C)c(Cl)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(F)n1.COc1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)cc1F |
| InChI | InChI=1S/C12H16F3NO.2C12H19NO.C11H16ClNO.C10H11F4N.2C10H14FNO.C10H16N2O.2C10H15NO.C9H11Cl2N.C9H12ClN.2C9H13N.C8H13N3/c1-5-17-10-9(12(13,14)15)6-8(7-16-10)11(2,3)4;1-6-14-11-7-9(2)10(8-13-11)12(3,4)5;1-6-14-11-9(2)7-10(8-13-11)12(3,4)5;1-5-14-9-7-6-8(10(12)13-9)11(2,3)4;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;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)6-4-10-7(9)11-5-6/h6-7H,5H2,1-4H3;2*7-8H,6H2,1-5H3;6-7H,5H2,1-4H3;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;2*4-7H,1-3H3;4-5H,1-3H3,(H2,9,10,11) |
| InChIKey | KKXCKJDMXYAMHT-UHFFFAOYSA-N |
| XLogP | 41.77 |
| TPSA | 328.22 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2741.31 |
| LogP ≤ 5 | 41.77 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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