Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone

C₃₆H₂₈F₆N₈O₄Os — CID 139131627

About Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone

Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone (PubChem CID 139131627) has the molecular formula C₃₆H₂₈F₆N₈O₄Os and a molecular weight of 940.89 g/mol. Its IUPAC name is osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone.

Molecular Properties

• Compound Name: Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
• PubChem CID: 139131627
• Molecular Formula: C₃₆H₂₈F₆N₈O₄Os
• Molecular Weight: 940.89 g/mol
• Exact Mass: 942.18
• IUPAC Name: osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
• SMILES: CC(C)=O.CC(C)=O.O=C(c1cc(C(F)(F)F)[n-]n1)c1cccc(-c2ccccn2)n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Os+2]
• InChI: InChI=1S/2C15H9F3N4O.2C3H6O.Os/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;2*1-3(2)4;/h2*1-8H,(H,21,22,23);2*1-2H3;/q;;;;+2/p-2
• InChIKey: QFDAXOUVNKOBOM-UHFFFAOYSA-L
• XLogP: 6.68
• TPSA: 173.82 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.89
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone (CID 139131627) is osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone.

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

The canonical SMILES for Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone is CC(C)=O.CC(C)=O.O=C(c1cc(C(F)(F)F)[n-]n1)c1cccc(-c2ccccn2)n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Os+2].

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

The InChIKey is QFDAXOUVNKOBOM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H9F3N4O.2C3H6O.Os/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;2*1-3(2)4;/h2*1-8H,(H,21,22,23);2*1-2H3;/q;;;;+2/p-2.

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

Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone has a molecular weight of 940.89 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone is sourced from PubChem (CID 139131627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139131627 — identifiers, structure, computed properties (public domain)

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