Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate

C₂₀H₂₄CuN₆O₈ — CID 139076268

About Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate

Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate (PubChem CID 139076268) has the molecular formula C₂₀H₂₄CuN₆O₈ and a molecular weight of 539.99 g/mol. Its IUPAC name is copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate.

Molecular Properties

• Compound Name: Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate
• PubChem CID: 139076268
• Molecular Formula: C₂₀H₂₄CuN₆O₈
• Molecular Weight: 539.99 g/mol
• Exact Mass: 539.10
• IUPAC Name: copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate
• SMILES: O.O.O.O.[Cu+2].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-]
• InChI: InChI=1S/2C10H8N3O2.Cu.4H2O/c2*14-12-7-3-1-5-9(12)11-10-6-2-4-8-13(10)15;;;;;/h2*1-8H;;4*1H2/q2*-1;+2
• InChIKey: JHHHRWCGCWFQFZ-UHFFFAOYSA-N
• XLogP: -0.72
• TPSA: 261.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.99
LogP ≤ 5	-0.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?

The IUPAC name of Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate (CID 139076268) is copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate.

What is the SMILES notation for Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?

The canonical SMILES for Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate is O.O.O.O.[Cu+2].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].

What is the InChIKey of Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?

The InChIKey is JHHHRWCGCWFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N3O2.Cu.4H2O/c2*14-12-7-3-1-5-9(12)11-10-6-2-4-8-13(10)15;;;;;/h2*1-8H;;4*1H2/q2*-1;+2;;;;.

What are the key properties of Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?

Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate has a molecular weight of 539.99 g/mol, XLogP of -0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate is sourced from PubChem (CID 139076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139076268 — identifiers, structure, computed properties (public domain)

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