Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)

C₃₀H₁₆F₆N₈O₂Ru — CID 139131626

About Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)

Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) (PubChem CID 139131626) has the molecular formula C₃₀H₁₆F₆N₈O₂Ru and a molecular weight of 735.57 g/mol. Its IUPAC name is bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+).

Molecular Properties

• Compound Name: Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
• PubChem CID: 139131626
• Molecular Formula: C₃₀H₁₆F₆N₈O₂Ru
• Molecular Weight: 735.57 g/mol
• Exact Mass: 736.03
• IUPAC Name: bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
• SMILES: O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2]
• InChI: InChI=1S/2C15H9F3N4O.Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;/h2*1-8H,(H,21,22,23);/q;;+2/p-2
• InChIKey: QIBOBIQUTSABOA-UHFFFAOYSA-L
• XLogP: 5.49
• TPSA: 139.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?

The IUPAC name of Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) (CID 139131626) is bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+).

What is the SMILES notation for Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?

The canonical SMILES for Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) is O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2].

What is the InChIKey of Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?

The InChIKey is QIBOBIQUTSABOA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H9F3N4O.Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;/h2*1-8H,(H,21,22,23);/q;;+2/p-2.

What are the key properties of Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)?

Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) has a molecular weight of 735.57 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+) is sourced from PubChem (CID 139131626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139131626 — identifiers, structure, computed properties (public domain)

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