2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

C36H32F12N6O4P2Ru — CID 131709246

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 131709246) has the molecular formula C36H32F12N6O4P2Ru and a molecular weight of 1003.68 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
• PubChem CID: 131709246
• Molecular Formula: C36H32F12N6O4P2Ru
• Molecular Weight: 1003.68 g/mol
• Exact Mass: 1004.08
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate
• SMILES: Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2]
• InChI: InChI=1S/C12H8N2O4.2C12H12N2.2F6P.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h1-6H,(H,15,16)(H,17,18);2*3-8H,1-2H3;;;/q;;;2*-1;+2
• InChIKey: HFGQIWUCHSIKBE-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 151.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.68
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate (CID 131709246) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+2].

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?

The InChIKey is HFGQIWUCHSIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.2C12H12N2.2F6P.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h1-6H,(H,15,16)(H,17,18);2*3-8H,1-2H3;;;/q;;;2*-1;+2.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 1003.68 g/mol, XLogP of 13.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 131709246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).