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

C26H22N6NiO4 — CID 135484770

IUPAC(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel
SMILESO/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Ni]
InChIInChI=1S/2C13H11N3O2.Ni/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+;
InChIKeyAMBIJEWEWUSILW-CGZWKZIFSA-N
MW541.19 g/mol
LogP4.25
Rot. Bonds6

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

(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel (PubChem CID 135484770) has the molecular formula C26H22N6NiO4 and a molecular weight of 541.19 g/mol. Its IUPAC name is (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel.

Molecular Properties

Compound Name(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel
PubChem CID135484770
Molecular FormulaC26H22N6NiO4
Molecular Weight541.19 g/mol
Exact Mass540.11
IUPAC Name(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel
SMILESO/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Ni]
InChIInChI=1S/2C13H11N3O2.Ni/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+;
InChIKeyAMBIJEWEWUSILW-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 ≤ 500541.19
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 (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel?
The IUPAC name of (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel (CID 135484770) is (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel.
What is the SMILES notation for (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel?
The canonical SMILES for (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel is O/C(=N/N=C/c1ccccn1)c1ccccc1O.O/C(=N\N=C\c1ccccn1)c1ccccc1O.[Ni].
What is the InChIKey of (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel?
The InChIKey is AMBIJEWEWUSILW-CGZWKZIFSA-N. The full InChI is InChI=1S/2C13H11N3O2.Ni/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 (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel?
(NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel has a molecular weight of 541.19 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 (NE,1E)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;(NE,1Z)-2-hydroxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonic acid;nickel is sourced from PubChem (CID 135484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).