2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
C122H76F20Ir4N24O9 — CID 162150518
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 162150518) has the molecular formula C122H76F20Ir4N24O9 and a molecular weight of 3170.94 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
Molecular Properties
| Compound Name | 2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine |
|---|---|
| PubChem CID | 162150518 |
| Molecular Formula | C122H76F20Ir4N24O9 |
| Molecular Weight | 3170.94 g/mol |
| Exact Mass | 3172.44 |
| IUPAC Name | 2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methoxybenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;tetrakis(iridium(3+));2-(5-methylpyrazol-2-id-3-yl)-6-(phenoxy)pyridine;2-(phenoxy)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine |
| SMILES | COc1cc(F)c[c-]c1Oc1cccc(-c2cc(C(F)(F)F)[nH]n2)n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3C)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3F)n2)[n-]n1.Cc1cc(-c2cccc(Oc3[c-]cccc3)n2)[n-]n1.FC(F)(F)c1cc(-c2cccc(Oc3[c-]cccc3)n2)n[nH]1.Fc1c[c-]c(Oc2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)c(F)c1.Fc1c[c-]c(Oc2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.[Ir+3].[Ir+3].[Ir+3].[Ir+3] |
| InChI | InChI=1S/C16H10F4N3O2.C16H12FN3O.C15H7F5N3O.C15H8F4N3O.C15H9F3N3O.C15H9F2N3O.C15H10FN3O.C15H11N3O.4Ir/c1-24-13-7-9(17)5-6-12(13)25-15-4-2-3-10(21-15)11-8-14(23-22-11)16(18,19)20;1-10-8-12(17)6-7-15(10)21-16-5-3-4-13(18-16)14-9-11(2)19-20-14;16-8-4-5-12(9(17)6-8)24-14-3-1-2-10(21-14)11-7-13(23-22-11)15(18,19)20;16-9-4-6-10(7-5-9)23-14-3-1-2-11(20-14)12-8-13(22-21-12)15(17,18)19;16-15(17,18)13-9-12(20-21-13)11-7-4-8-14(19-11)22-10-5-2-1-3-6-10;1-9-7-13(20-19-9)12-3-2-4-15(18-12)21-14-6-5-10(16)8-11(14)17;1-10-9-14(19-18-10)13-3-2-4-15(17-13)20-12-7-5-11(16)6-8-12;1-11-10-14(18-17-11)13-8-5-9-15(16-13)19-12-6-3-2-4-7-12;;;;/h2-5,7-8H,1H3,(H,22,23);3-6,8-9H,1-2H3;1-4,6-7H,(H,22,23);1-6,8H,(H,21,22);1-5,7-9H,(H,20,21);2-5,7-8H,1H3;2-7,9H,1H3;2-6,8-10H,1H3;;;;/q-1;-2;3*-1;3*-2;4*+3 |
| InChIKey | MWCCNHOBXZFEHP-UHFFFAOYSA-N |
| XLogP | 29.76 |
| TPSA | 408.87 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 179 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3170.94 |
| LogP ≤ 5 | 29.76 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 162150518 — identifiers, structure, computed properties (public domain)
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