2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)

C34H22N5O6Ru — CID 58321424

About 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)

2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 58321424) has the molecular formula C34H22N5O6Ru and a molecular weight of 697.65 g/mol. Its IUPAC name is 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 58321424
• Molecular Formula: C34H22N5O6Ru
• Molecular Weight: 697.65 g/mol
• Exact Mass: 698.06
• IUPAC Name: 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[Ru+].[c-]1ccccc1-c1cccc(-c2ccccn2)n1
• InChI: InChI=1S/C18H11N3O6.C16H11N2.Ru/c22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;/h1-10H,(H,24,25);1-7,9-12H;/q;-1;+1
• InChIKey: KRVGVCNFIQCLQW-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 154.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.65
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+) (CID 58321424) is 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+) is O=COc1ccnc(-c2cc(OC=O)cc(-c3cc(C(=O)O)ccn3)n2)c1.[Ru+].[c-]1ccccc1-c1cccc(-c2ccccn2)n1.

What is the InChIKey of 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is KRVGVCNFIQCLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O6.C16H11N2.Ru/c22-9-26-12-2-4-20-15(6-12)17-8-13(27-10-23)7-16(21-17)14-5-11(18(24)25)1-3-19-14;1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;/h1-10H,(H,24,25);1-7,9-12H;/q;-1;+1.

What are the key properties of 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+)?

2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 697.65 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]pyridine-4-carboxylic acid;2-phenyl-6-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).