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

C38H31F3N6O8Ru+ — CID 159788127

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

bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 159788127) has the molecular formula C38H31F3N6O8Ru+ and a molecular weight of 857.76 g/mol. Its IUPAC name is bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+).

Molecular Properties

• Compound Name: bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+)
• PubChem CID: 159788127
• Molecular Formula: C38H31F3N6O8Ru+
• Molecular Weight: 857.76 g/mol
• Exact Mass: 858.12
• IUPAC Name: bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+)
• SMILES: C[CH+]C.Cc1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.O=C(O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C=O.O=C=O.[Ru+].c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C12H8N2O4.C11H8F3N2.C10H8N2.C3H7.2CO2.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;1-3-2;2*2-1-3;/h1-6H,(H,15,16)(H,17,18);2-6H,1H3;1-8H;3H,1-2H3;;;/q;-1;;+1;;;+1
• InChIKey: NIFIESDLIRUHMI-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 221.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.76
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 159788127) is bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+).

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

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

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

The InChIKey is NIFIESDLIRUHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C11H8F3N2.C10H8N2.C3H7.2CO2.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;1-3-2;2*2-1-3;/h1-6H,(H,15,16)(H,17,18);2-6H,1H3;1-8H;3H,1-2H3;;;/q;-1;;+1;;;+1.

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

bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 857.76 g/mol, XLogP of 6.78, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;propane;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 159788127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).