Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)

C₂₀H₂₀Cu₂N₄O₁₂P₄ — CID 139152529

About Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)

Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) (PubChem CID 139152529) has the molecular formula C₂₀H₂₀Cu₂N₄O₁₂P₄ and a molecular weight of 759.38 g/mol. Its IUPAC name is dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate).

Molecular Properties

• Compound Name: Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
• PubChem CID: 139152529
• Molecular Formula: C₂₀H₂₀Cu₂N₄O₁₂P₄
• Molecular Weight: 759.38 g/mol
• Exact Mass: 757.86
• IUPAC Name: dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
• SMILES: O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.[Cu+2].[Cu+2]
• InChI: InChI=1S/4C5H6NO3P.2Cu/c4*7-10(8,9)5-3-1-2-4-6-5;;/h4*1-4H,(H2,7,8,9);;/q;;;;2*+2/p-4
• InChIKey: ZQJGFLDTTXSNAL-UHFFFAOYSA-J
• XLogP: -2.99
• TPSA: 293.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.38
LogP ≤ 5	-2.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?

The IUPAC name of Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) (CID 139152529) is dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate).

What is the SMILES notation for Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?

The canonical SMILES for Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) is O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.O=P([O-])(O)c1ccccn1.[Cu+2].[Cu+2].

What is the InChIKey of Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?

The InChIKey is ZQJGFLDTTXSNAL-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H6NO3P.2Cu/c4*7-10(8,9)5-3-1-2-4-6-5;;/h4*1-4H,(H2,7,8,9);;/q;;;;2*+2/p-4.

What are the key properties of Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)?

Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) has a molecular weight of 759.38 g/mol, XLogP of -2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate) is sourced from PubChem (CID 139152529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139152529 — identifiers, structure, computed properties (public domain)

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