C162H215BrClF10N23O8 — CID 158906487
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 158906487) has the molecular formula C162H215BrClF10N23O8 and a molecular weight of 2917.99 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
| Compound Name | 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
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| PubChem CID | 158906487 |
| Molecular Formula | C162H215BrClF10N23O8 |
| Molecular Weight | 2917.99 g/mol |
| Exact Mass | 2914.58 |
| IUPAC Name | 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
| SMILES | CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C(F)(F)F)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1 |
| InChI | InChI=1S/C13H15N.C11H15NO.C10H12N2.C10H15N.C9H10F3NO.5C9H13NO.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.2C8H12N2.C8H11NO/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-6-11-9(4)5-8(10)3;1-6(2)7-3-4-8(14)13(5-7)9(10,11)12;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-6(2)8-5-4-7(3)10-9(8)11;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;3-7H,1-2H3,(H,11,12);5-7H,1-4H3;3-6H,1-2H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-6H,1-3H3,(H,10,11);2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10) |
| InChIKey | JGCLCLBNSQAEDH-UHFFFAOYSA-N |
| XLogP | 41.75 |
| TPSA | 420.89 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.99 |
| LogP ≤ 5 | 41.75 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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