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

C26H20CuN6O4 — CID 135439973

IUPACcopper 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
InChIInChI=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+;
InChIKeySTGHOSUGLHDRTJ-CGZWKZIFSA-L
MW544.03 g/mol
LogP1.85
Rot. Bonds6

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 Namecopper bis((NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate)
PubChem CID135439973
Molecular FormulaC26H20CuN6O4
Molecular Weight544.03 g/mol
Exact Mass543.08
IUPAC Namecopper 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
InChIInChI=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+;
InChIKeySTGHOSUGLHDRTJ-CGZWKZIFSA-L
XLogP1.85
TPSA161.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.03
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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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).