3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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

C102H92F22Ir6N12O12-6 — CID 159854049

About 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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

3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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 (PubChem CID 159854049) has the molecular formula C102H92F22Ir6N12O12-6 and a molecular weight of 3249.19 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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.

Molecular Properties

• Compound Name: 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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
• PubChem CID: 159854049
• Molecular Formula: C102H92F22Ir6N12O12-6
• Molecular Weight: 3249.19 g/mol
• Exact Mass: 3252.44
• IUPAC Name: 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.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-c1ccc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C12H7F4N2.2C12H8F3N2.6C5H8O2.6Ir/c1-7-9(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)10-3-2-9(13)6-17-10;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;6*1-4(6)3-5(2)7;;;;;;/h2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;6*3,6H,1-2H3;;;;;;/q6*-1
• InChIKey: ZEDALYKDAQWGTE-UHFFFAOYSA-N
• XLogP: 26.39
• TPSA: 378.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3249.19
LogP ≤ 5	26.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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?

The IUPAC name of 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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 (CID 159854049) is 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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.

What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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?

The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.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-c1ccc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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?

The InChIKey is ZEDALYKDAQWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H7F4N2.2C12H8F3N2.6C5H8O2.6Ir/c1-7-9(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)10-3-2-9(13)6-17-10;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;6*1-4(6)3-5(2)7;;;;;;/h2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;6*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;.

What are the key properties of 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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?

3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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 has a molecular weight of 3249.19 g/mol, XLogP of 26.39, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(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 is sourced from PubChem (CID 159854049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).