octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C129H90F12N29O24Ru4+ — CID 162241524

About octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 162241524) has the molecular formula C129H90F12N29O24Ru4+ and a molecular weight of 3062.57 g/mol. Its IUPAC name is octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

• Compound Name: octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 162241524
• Molecular Formula: C129H90F12N29O24Ru4+
• Molecular Weight: 3062.57 g/mol
• Exact Mass: 3064.27
• IUPAC Name: octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: C[n+]1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[Ru+2].[Ru+2].[Ru+].[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C12H8N2O4.C11H8F3N2.C10H8F3N3.4C10H8N2.2C9H5F3N3.2C9H8N3.8CO2.4Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-16-6-7(10(11,12)13)9(15-16)8-4-2-3-5-14-8;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;8*2-1-3;;;;/h2*1-6H,(H,15,16)(H,17,18);2*2-6H,1H3;4*1-8H;2*1-5H;2*2-6H,1H3;;;;;;;;;;;;/q;;-1;;;;;;4*-1;;;;;;;;;2*+1;2*+2
• InChIKey: LEWWCIGMUVAZRA-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 794.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3062.57
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The IUPAC name of octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 162241524) is octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

What is the SMILES notation for octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The canonical SMILES for octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is C[n+]1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.[Ru+2].[Ru+2].[Ru+].[Ru+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The InChIKey is LEWWCIGMUVAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.C11H8F3N2.C10H8F3N3.4C10H8N2.2C9H5F3N3.2C9H8N3.8CO2.4Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-16-6-7(10(11,12)13)9(15-16)8-4-2-3-5-14-8;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;8*2-1-3;;;;/h2*1-6H,(H,15,16)(H,17,18);2*2-6H,1H3;4*1-8H;2*1-5H;2*2-6H,1H3;;;;;;;;;;;;/q;;-1;;;;;;4*-1;;;;;;;;;2*+1;2*+2.

What are the key properties of octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3062.57 g/mol, XLogP of 18.62, 16 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for octakis(carbon dioxide);bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-[2-methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(1+));bis(ruthenium(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 162241524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).