C156H232ClF6N17O14 — CID 160502973
2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]propan-1-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 160502973) has the molecular formula C156H232ClF6N17O14 and a molecular weight of 2719.12 g/mol. Its IUPAC name is 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]propan-1-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine.
| Compound Name | 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]propan-1-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine |
|---|---|
| PubChem CID | 160502973 |
| Molecular Formula | C156H232ClF6N17O14 |
| Molecular Weight | 2719.12 g/mol |
| Exact Mass | 2716.76 |
| IUPAC Name | 2-tert-butyl-6-chloropyridine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;2-tert-butyl-6-ethoxypyridine;2-tert-butyl-6-ethylpyridine;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-2-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]propan-1-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine |
| SMILES | CC(C)(C)c1cccc(CO)n1.CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1cccc(OCC(C)(O)C(F)(F)F)n1.CC(C)(C)c1cccc(OCC(F)(F)F)n1.CC(C)(C)c1cccc(OCCCO)n1.CC(C)(C)c1cccc(OCCO)n1.CC(C)(O)COc1cccc(C(C)(C)C)n1.CCNC(=O)c1cccc(C(C)(C)C)n1.CCOc1cccc(C(C)(C)C)n1.CCc1cccc(C(C)(C)C)n1.CN(C)C(=O)c1cccc(C(C)(C)C)n1.CNC(=O)c1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ccnc(C(C)(C)C)c1 |
| InChI | InChI=1S/C13H18F3NO2.C13H21NO2.2C12H18N2O.C12H19NO2.C11H14F3NO.C11H16N2O.C11H17NO2.C11H17NO.C11H17N.C10H15NO.2C10H15N.C9H12ClN/c1-11(2,3)9-6-5-7-10(17-9)19-8-12(4,18)13(14,15)16;1-12(2,3)10-7-6-8-11(14-10)16-9-13(4,5)15;1-12(2,3)10-8-6-7-9(13-10)11(15)14(4)5;1-5-13-11(15)9-7-6-8-10(14-9)12(2,3)4;1-12(2,3)10-6-4-7-11(13-10)15-9-5-8-14;1-10(2,3)8-5-4-6-9(15-8)16-7-11(12,13)14;1-11(2,3)9-7-5-6-8(13-9)10(14)12-4;1-11(2,3)9-5-4-6-10(12-9)14-8-7-13;1-5-13-10-8-6-7-9(12-10)11(2,3)4;1-5-9-7-6-8-10(12-9)11(2,3)4;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7/h5-7,18H,8H2,1-4H3;6-8,15H,9H2,1-5H3;6-8H,1-5H3;6-8H,5H2,1-4H3,(H,13,15);4,6-7,14H,5,8-9H2,1-3H3;4-6H,7H2,1-3H3;5-7H,1-4H3,(H,12,14);4-6,13H,7-8H2,1-3H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;4-6,12H,7H2,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3 |
| InChIKey | QSAKKMBXVQRJJS-UHFFFAOYSA-N |
| XLogP | 34.76 |
| TPSA | 415.50 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2719.12 |
| LogP ≤ 5 | 34.76 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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