2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
C217H327F6N19O4 — CID 159610470
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine (PubChem CID 159610470) has the molecular formula C217H327F6N19O4 and a molecular weight of 3380.12 g/mol. Its IUPAC name is 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine.
Molecular Properties
| Compound Name | 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 159610470 |
| Molecular Formula | C217H327F6N19O4 |
| Molecular Weight | 3380.12 g/mol |
| Exact Mass | 3377.59 |
| IUPAC Name | 2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine |
| SMILES | CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1cccnc1F.CC(C)(C)Cc1cncc(F)c1.CC(C)(C)Cc1cnccc1C(F)(F)F.CC(F)c1cncc(CC(C)(C)C)c1.COc1ccc(CC(C)(C)C)cn1.COc1cccc(CC(C)(C)C)n1.COc1cncc(CC(C)(C)C)c1.COc1ncccc1CC(C)(C)C.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cn1.Cc1ccncc1CC(C)(C)C.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1cncc(CC(C)(C)C)c1.Cc1ncccc1CC(C)(C)C |
| InChI | InChI=1S/C12H18FN.C11H14F3N.4C11H17NO.9C11H17N.C11H16.2C10H14FN.2C10H15N/c1-9(13)11-5-10(7-14-8-11)6-12(2,3)4;1-10(2,3)6-8-7-15-5-4-9(8)11(12,13)14;1-11(2,3)6-9-5-10(13-4)8-12-7-9;1-11(2,3)7-9-5-6-10(13-4)12-8-9;1-11(2,3)8-9-6-5-7-12-10(9)13-4;1-11(2,3)8-9-6-5-7-10(12-9)13-4;4*1-9-5-10(8-12-7-9)6-11(2,3)4;1-9-5-6-12-8-10(9)7-11(2,3)4;3*1-9-5-6-10(8-12-9)7-11(2,3)4;1-9-10(6-5-7-12-9)8-11(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)5-8-4-9(11)7-12-6-8;1-10(2,3)7-8-5-4-6-12-9(8)11;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9/h5,7-9H,6H2,1-4H3;4-5,7H,6H2,1-3H3;5,7-8H,6H2,1-4H3;5-6,8H,7H2,1-4H3;2*5-7H,8H2,1-4H3;4*5,7-8H,6H2,1-4H3;4*5-6,8H,7H2,1-4H3;5-7H,8H2,1-4H3;4-8H,9H2,1-3H3;4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3 |
| InChIKey | MMPYWJDQMRUAKT-UHFFFAOYSA-N |
| XLogP | 59.15 |
| TPSA | 281.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 246 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3380.12 |
| LogP ≤ 5 | 59.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159610470 — identifiers, structure, computed properties (public domain)
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