dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid

C36H24Cl2N4O4Ru — CID 58089473

About dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid

dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 58089473) has the molecular formula C36H24Cl2N4O4Ru and a molecular weight of 748.59 g/mol. Its IUPAC name is dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid
• PubChem CID: 58089473
• Molecular Formula: C36H24Cl2N4O4Ru
• Molecular Weight: 748.59 g/mol
• Exact Mass: 748.02
• IUPAC Name: dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid
• SMILES: Cl[Ru]Cl.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C24H16N2.C12H8N2O4.2ClH.Ru/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;;/h1-16H;1-7H,(H,16,17);2*1H;/q;;;;+2/p-2
• InChIKey: WMXRYSXSKQHYPY-UHFFFAOYSA-L
• XLogP: 8.87
• TPSA: 115.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.59
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid?

The IUPAC name of dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid (CID 58089473) is dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid.

What is the SMILES notation for dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid?

The canonical SMILES for dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid is Cl[Ru]Cl.O=COc1ccnc(-c2cc(C(=O)O)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid?

The InChIKey is WMXRYSXSKQHYPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H16N2.C12H8N2O4.2ClH.Ru/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;15-7-18-9-2-4-14-11(6-9)10-5-8(12(16)17)1-3-13-10;;;/h1-16H;1-7H,(H,16,17);2*1H;/q;;;;+2/p-2.

What are the key properties of dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid?

dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 748.59 g/mol, XLogP of 8.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for dichlororuthenium;4,7-diphenyl-1,10-phenanthroline;2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 58089473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).