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

C68H48N16O8Ru3 — CID 18339145

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

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide (PubChem CID 18339145) has the molecular formula C68H48N16O8Ru3 and a molecular weight of 1520.45 g/mol. Its IUPAC name is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide.

Molecular Properties

• Compound Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide
• PubChem CID: 18339145
• Molecular Formula: C68H48N16O8Ru3
• Molecular Weight: 1520.45 g/mol
• Exact Mass: 1522.10
• IUPAC Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(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+2].[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;;2*+2
• InChIKey: RJSHDSARGURQOM-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 399.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.45
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?

The IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide (CID 18339145) is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide.

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

The canonical SMILES for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(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+2].[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-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide?

The InChIKey is RJSHDSARGURQOM-UHFFFAOYSA-N. 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;;2*+2.

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

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide has a molecular weight of 1520.45 g/mol, XLogP of 12.03, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);tetrakis(2-pyridin-2-ylpyridine);ruthenium;bis(ruthenium(2+));tetracyanide is sourced from PubChem (CID 18339145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).