bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

C52H36N12O8Ru2-2 — CID 59141261

About bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (PubChem CID 59141261) has the molecular formula C52H36N12O8Ru2-2 and a molecular weight of 1159.08 g/mol. Its IUPAC name is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.

Molecular Properties

• Compound Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
• PubChem CID: 59141261
• Molecular Formula: C52H36N12O8Ru2-2
• Molecular Weight: 1159.08 g/mol
• Exact Mass: 1160.09
• IUPAC Name: bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
• SMILES: O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru].[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc(-c2ncccn2)nc1
• InChI: InChI=1S/2C12H8N2O4.2C10H8N2.C8H6N4.2Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;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;;/h2*1-6H,(H,15,16)(H,17,18);2*1-8H;1-6H;;/p-2
• InChIKey: LUACMECRFITZCS-UHFFFAOYSA-L
• XLogP: 5.63
• TPSA: 309.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.08
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

The IUPAC name of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium (CID 59141261) is bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium.

What is the SMILES notation for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

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

What is the InChIKey of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

The InChIKey is LUACMECRFITZCS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2O4.2C10H8N2.C8H6N4.2Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;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;;/h2*1-6H,(H,15,16)(H,17,18);2*1-8H;1-6H;;/p-2.

What are the key properties of bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium?

bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium has a molecular weight of 1159.08 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium is sourced from PubChem (CID 59141261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).