Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)

C₂₆H₂₀CuN₆O₄ — CID 135439973

About Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)

Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate) (PubChem CID 135439973) has the molecular formula C₂₆H₂₀CuN₆O₄ and a molecular weight of 544.03 g/mol. Its IUPAC name is copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate).

Molecular Properties

• Compound Name: Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
• PubChem CID: 135439973
• Molecular Formula: C₂₆H₂₀CuN₆O₄
• Molecular Weight: 544.03 g/mol
• Exact Mass: 543.08
• IUPAC Name: copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
• SMILES: [Cu+2].[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O
• InChI: InChI=1S/2C13H11N3O2.Cu/c2*17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10;/h2*1-9,17H,(H,16,18);/q;;+2/p-2/b2*15-9+
• InChIKey: STGHOSUGLHDRTJ-CGZWKZIFSA-L
• XLogP: 1.85
• TPSA: 161.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.03
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)?

The IUPAC name of Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate) (CID 135439973) is copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate).

What is the SMILES notation for Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)?

The canonical SMILES for Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate) is [Cu+2].[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.[O-]/C(=N\N=C\c1ccccn1)c1ccccc1O.

What is the InChIKey of Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)?

The InChIKey is STGHOSUGLHDRTJ-CGZWKZIFSA-L. The full InChI is InChI=1S/2C13H11N3O2.Cu/c2*17-12-7-2-1-6-11(12)13(18)16-15-9-10-5-3-4-8-14-10;/h2*1-9,17H,(H,16,18);/q;;+2/p-2/b2*15-9+;.

What are the key properties of Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)?

Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate) has a molecular weight of 544.03 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Copper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate) is sourced from PubChem (CID 135439973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135439973 — identifiers, structure, computed properties (public domain)

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