bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide

C68H46N16O8Ru3-3 — CID 20728762

About bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide (PubChem CID 20728762) has the molecular formula C68H46N16O8Ru3-3 and a molecular weight of 1518.43 g/mol. Its IUPAC name is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide.

Molecular Properties

• Compound Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
• PubChem CID: 20728762
• Molecular Formula: C68H46N16O8Ru3-3
• Molecular Weight: 1518.43 g/mol
• Exact Mass: 1520.08
• IUPAC Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide
• SMILES: O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h2*1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;+1;+2/p-2
• InChIKey: FCWVFBLIPBCOBK-UHFFFAOYSA-L
• XLogP: 9.36
• TPSA: 404.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.43
LogP ≤ 5	9.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?

The IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide (CID 20728762) is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide.

What is the SMILES notation for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?

The canonical SMILES for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide is O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ru+2].[Ru+].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?

The InChIKey is FCWVFBLIPBCOBK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2O4.4C10H8N2.4CN.3Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;;;/h2*1-6H,(H,15,16)(H,17,18);4*1-8H;;;;;;;/q;;;;;;4*-1;;+1;+2/p-2.

What are the key properties of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide?

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide has a molecular weight of 1518.43 g/mol, XLogP of 9.36, 10 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium;ruthenium(1+);ruthenium(2+);tetracyanide is sourced from PubChem (CID 20728762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).