C169H242Br2ClFN20O14S — CID 162017198
3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid (PubChem CID 162017198) has the molecular formula C169H242Br2ClFN20O14S and a molecular weight of 3024.25 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid.
| Compound Name | 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid |
|---|---|
| PubChem CID | 162017198 |
| Molecular Formula | C169H242Br2ClFN20O14S |
| Molecular Weight | 3024.25 g/mol |
| Exact Mass | 3019.66 |
| IUPAC Name | 3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid |
| SMILES | CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C#N)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1cncc(C(C)(C)C)c1.COc1ncccc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1 |
| InChI | InChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C10H14N2O.C10H12N2.7C10H15NO.C10H15N.C9H11BrClN.C9H12BrN.C9H12FN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-5-4-8(6-11)7-12-9;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-11-9(8)12-4;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-5-9(7-11-6-8)10(2,3)4;1-9(2,3)6-4-7(10)8(11)12-5-6;2*1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;4-6H,1-3H3,(H2,11,13);4-5,7H,1-3H3;6*5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3 |
| InChIKey | YUGNGDDUZFLMQT-UHFFFAOYSA-N |
| XLogP | 39.95 |
| TPSA | 471.39 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 208 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3024.25 |
| LogP ≤ 5 | 39.95 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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