2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate

C52H38F12N12O8P2Ru2-4 — CID 158031807

About 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate

2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate (PubChem CID 158031807) has the molecular formula C52H38F12N12O8P2Ru2-4 and a molecular weight of 1451.02 g/mol. Its IUPAC name is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate.

Molecular Properties

• Compound Name: 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate
• PubChem CID: 158031807
• Molecular Formula: C52H38F12N12O8P2Ru2-4
• Molecular Weight: 1451.02 g/mol
• Exact Mass: 1452.03
• IUPAC Name: 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C([O-])c1ccnc(-c2cc(OCO)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1
• InChI: InChI=1S/C12H10N2O4.C12H8N2O4.2C10H8N2.C8H6N4.2F6P.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;1-3-9-7(10-4-1)8-11-5-2-6-12-8;2*1-7(2,3,4,5)6;;/h1-6,15H,7H2,(H,16,17);1-7H,(H,16,17);2*1-8H;1-6H;;;;/q;;;;;2*-1;;/p-2
• InChIKey: FHGOOHRCKWUWCC-UHFFFAOYSA-L
• XLogP: 11.86
• TPSA: 290.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.02
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate?

The IUPAC name of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate (CID 158031807) is 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate.

What is the SMILES notation for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate?

The canonical SMILES for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C([O-])c1ccnc(-c2cc(OCO)ccn2)c1.O=COc1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1.

What is the InChIKey of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate?

The InChIKey is FHGOOHRCKWUWCC-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10N2O4.C12H8N2O4.2C10H8N2.C8H6N4.2F6P.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;1-3-9-7(10-4-1)8-11-5-2-6-12-8;2*1-7(2,3,4,5)6;;/h1-6,15H,7H2,(H,16,17);1-7H,(H,16,17);2*1-8H;1-6H;;;;/q;;;;;2*-1;;/p-2.

What are the key properties of 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate?

2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate has a molecular weight of 1451.02 g/mol, XLogP of 11.86, 11 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-formyloxy-2-pyridinyl)pyridine-4-carboxylate;2-[4-(hydroxymethoxy)-2-pyridinyl]pyridine-4-carboxylate;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;dihexafluorophosphate is sourced from PubChem (CID 158031807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).