C113H65Cl6F6N17S — CID 158819214
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline (PubChem CID 158819214) has the molecular formula C113H65Cl6F6N17S and a molecular weight of 2019.65 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline.
| Compound Name | 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline |
|---|---|
| PubChem CID | 158819214 |
| Molecular Formula | C113H65Cl6F6N17S |
| Molecular Weight | 2019.65 g/mol |
| Exact Mass | 2015.34 |
| IUPAC Name | 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline |
| SMILES | Fc1ccc(-c2ncccc2-c2ccc3ncccc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncccc3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccnc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12 |
| InChI | InChI=1S/C20H12ClFN2.C19H10ClFN4.2C19H11ClFN3.C18H11ClFN3.C18H10ClFN2S/c21-17-12-15(5-7-18(17)22)20-16(4-2-10-24-20)13-6-8-19-14(11-13)3-1-9-23-19;1-22-18-10-24-17-7-5-13(11-25(17)18)14-3-2-8-23-19(14)12-4-6-16(21)15(20)9-12;20-14-11-12(5-6-15(14)21)19-13(3-1-10-23-19)16-7-8-17-18(24-16)4-2-9-22-17;20-15-10-13(3-5-16(15)21)19-14(2-1-7-24-19)12-4-6-17-18(11-12)23-9-8-22-17;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h1-12H;2-11H;2*1-11H;1-11H;1-10H |
| InChIKey | IVQPXUWSVLWBAF-UHFFFAOYSA-N |
| XLogP | 32.14 |
| TPSA | 193.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2019.65 |
| LogP ≤ 5 | 32.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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