3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)

C104H70F14Ir4N16O8-4 — CID 161088726

About 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)

3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 161088726) has the molecular formula C104H70F14Ir4N16O8-4 and a molecular weight of 2706.65 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 161088726
• Molecular Formula: C104H70F14Ir4N16O8-4
• Molecular Weight: 2706.65 g/mol
• Exact Mass: 2708.39
• IUPAC Name: 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2cccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C14H10N2O2.2C12H7F4N2.2C12H8F3N2.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-7-5-8(6-10(17-7)12(14,15)16)9-3-2-4-11(13)18-9;1-7-8(9-3-2-4-11(13)18-9)5-6-10(17-7)12(14,15)16;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-8-6-9(10-4-2-3-5-16-10)7-11(17-8)12(13,14)15;;;;/h4*1-9,17H;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;;;;/q;;;;4*-1
• InChIKey: DUPNBNPSDUZQPX-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 339.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2706.65
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

The IUPAC name of 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (CID 161088726) is 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

The canonical SMILES for 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is DUPNBNPSDUZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H10N2O2.2C12H7F4N2.2C12H8F3N2.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-7-5-8(6-10(17-7)12(14,15)16)9-3-2-4-11(13)18-9;1-7-8(9-3-2-4-11(13)18-9)5-6-10(17-7)12(14,15)16;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-8-6-9(10-4-2-3-5-16-10)7-11(17-8)12(13,14)15;;;;/h4*1-9,17H;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2706.65 g/mol, XLogP of 25.79, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 161088726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).