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

C100H64F16Ir4N20O8-4 — CID 160894937

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

3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 160894937) has the molecular formula C100H64F16Ir4N20O8-4 and a molecular weight of 2746.58 g/mol. Its IUPAC name is 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 160894937
• Molecular Formula: C100H64F16Ir4N20O8-4
• Molecular Weight: 2746.58 g/mol
• Exact Mass: 2748.35
• IUPAC Name: 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C13H9N3O2.4C12H7F4N2.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-9(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*1-8,17H;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1
• InChIKey: LITUPHLEMZBFRJ-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 391.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2746.58
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 160894937) is 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

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

The canonical SMILES for 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is LITUPHLEMZBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9N3O2.4C12H7F4N2.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-9(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*1-8,17H;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1;;;;.

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

3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2746.58 g/mol, XLogP of 23.65, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 160894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).