bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))

C50H36N12O8Ru2 — CID 58420826

About bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) (PubChem CID 58420826) has the molecular formula C50H36N12O8Ru2 and a molecular weight of 1135.05 g/mol. Its IUPAC name is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)).

Molecular Properties

• Compound Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
• PubChem CID: 58420826
• Molecular Formula: C50H36N12O8Ru2
• Molecular Weight: 1135.05 g/mol
• Exact Mass: 1136.09
• IUPAC Name: bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
• SMILES: O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1c[n-]c(-c2ncc[n-]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/2C12H8N2O4.2C10H8N2.C6H4N4.2Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;;/h2*1-7H,(H,16,17);2*1-8H;1-4H;;/q;;;;-2;2*+1
• InChIKey: BMTYKTCJTKWCHI-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 284.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1135.05
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?

The IUPAC name of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) (CID 58420826) is bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)).

What is the SMILES notation for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?

The canonical SMILES for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) is O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].[Ru+].c1c[n-]c(-c2ncc[n-]2)n1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?

The InChIKey is BMTYKTCJTKWCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2O4.2C10H8N2.C6H4N4.2Ru/c2*15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-8-5(7-1)6-9-3-4-10-6;;/h2*1-7H,(H,16,17);2*1-8H;1-4H;;/q;;;;-2;2*+1.

What are the key properties of bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))?

bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) has a molecular weight of 1135.05 g/mol, XLogP of 7.09, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+)) is sourced from PubChem (CID 58420826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).