2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)

C32H18F3N8O4Ru — CID 144596543

About 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)

2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) (PubChem CID 144596543) has the molecular formula C32H18F3N8O4Ru and a molecular weight of 736.61 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+).

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
• PubChem CID: 144596543
• Molecular Formula: C32H18F3N8O4Ru
• Molecular Weight: 736.61 g/mol
• Exact Mass: 737.04
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
• SMILES: FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.N#Cc1cccc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)n1.[Ru+]
• InChI: InChI=1S/C18H10N4O4.C14H8F3N4.Ru/c19-9-12-2-1-3-13(21-12)15-7-11(18(25)26)8-16(22-15)14-6-10(17(23)24)4-5-20-14;15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;/h1-8H,(H,23,24)(H,25,26);1-8H;/q;-1;+1
• InChIKey: JAHDOQBRCISKPU-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 189.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.61
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) (CID 144596543) is 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+).

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) is FC(F)(F)c1cc(-c2cccc(-c3ccccn3)n2)[n-]n1.N#Cc1cccc(-c2cc(C(=O)O)cc(-c3cc(C(=O)O)ccn3)n2)n1.[Ru+].

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

The InChIKey is JAHDOQBRCISKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O4.C14H8F3N4.Ru/c19-9-12-2-1-3-13(21-12)15-7-11(18(25)26)8-16(22-15)14-6-10(17(23)24)4-5-20-14;15-14(16,17)13-8-12(20-21-13)11-6-3-5-10(19-11)9-4-1-2-7-18-9;/h1-8H,(H,23,24)(H,25,26);1-8H;/q;-1;+1.

What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)?

2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) has a molecular weight of 736.61 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+) is sourced from PubChem (CID 144596543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).