copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid

C26H22CuN6O4 — CID 135484771

IUPACcopper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid
SMILESO/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Cu]
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);/b2*15-9+;
InChIKeyBZSKWPNKKVARFC-CGZWKZIFSA-N
MW546.05 g/mol
LogP4.25
Rot. Bonds6

About copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid

copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid (PubChem CID 135484771) has the molecular formula C26H22CuN6O4 and a molecular weight of 546.05 g/mol. Its IUPAC name is copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid.

Molecular Properties

Compound Namecopper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid
PubChem CID135484771
Molecular FormulaC26H22CuN6O4
Molecular Weight546.05 g/mol
Exact Mass545.10
IUPAC Namecopper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid
SMILESO/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Cu]
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);/b2*15-9+;
InChIKeyBZSKWPNKKVARFC-CGZWKZIFSA-N
XLogP4.25
TPSA156.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.05
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid?
The IUPAC name of copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid (CID 135484771) is copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid.
What is the SMILES notation for copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid?
The canonical SMILES for copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid is O/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Cu].
What is the InChIKey of copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid?
The InChIKey is BZSKWPNKKVARFC-CGZWKZIFSA-N. 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);/b2*15-9+;.
What are the key properties of copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid?
copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid has a molecular weight of 546.05 g/mol, XLogP of 4.25, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid is sourced from PubChem (CID 135484771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).