2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

C33H24F3N6O4Ru — CID 58510481

About 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 58510481) has the molecular formula C33H24F3N6O4Ru and a molecular weight of 726.66 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 58510481
• Molecular Formula: C33H24F3N6O4Ru
• Molecular Weight: 726.66 g/mol
• Exact Mass: 727.09
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H8N2O4.C11H8F3N2.C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H,(H,15,16)(H,17,18);2-6H,1H3;1-8H;/q;-1;;+1
• InChIKey: ZQLBPVMAKNQUEV-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 153.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.66
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 58510481) is 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.[Ru+].c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

The InChIKey is ZQLBPVMAKNQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C11H8F3N2.C10H8N2.Ru/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-7-6-8(11(12,13)14)10(16-7)9-4-2-3-5-15-9;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-6H,(H,15,16)(H,17,18);2-6H,1H3;1-8H;/q;-1;;+1.

What are the key properties of 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 726.66 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 58510481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).