2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)

C58H50N10Ni2O8 — CID 139073178

IUPAC2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)
SMILESO=C(NNC(=O)c1ccccc1O)c1ccccc1O.[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1[O-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12N2O4.6C5H5N.2Ni/c2*17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18;6*1-2-4-6-5-3-1;;/h2*1-8,17-18H,(H,15,19)(H,16,20);6*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyIRWWUZGZWFQURP-UHFFFAOYSA-J
MW1132.49 g/mol
LogP6.32
Rot. Bonds5

About 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)

2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine) (PubChem CID 139073178) has the molecular formula C58H50N10Ni2O8 and a molecular weight of 1132.49 g/mol. Its IUPAC name is 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine).

Molecular Properties

Compound Name2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)
PubChem CID139073178
Molecular FormulaC58H50N10Ni2O8
Molecular Weight1132.49 g/mol
Exact Mass1130.25
IUPAC Name2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)
SMILESO=C(NNC(=O)c1ccccc1O)c1ccccc1O.[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1[O-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C14H12N2O4.6C5H5N.2Ni/c2*17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18;6*1-2-4-6-5-3-1;;/h2*1-8,17-18H,(H,15,19)(H,16,20);6*1-5H;;/q;;;;;;;;2*+2/p-4
InChIKeyIRWWUZGZWFQURP-UHFFFAOYSA-J
XLogP6.32
TPSA292.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.49
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'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 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)?
The IUPAC name of 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine) (CID 139073178) is 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine).
What is the SMILES notation for 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)?
The canonical SMILES for 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine) is O=C(NNC(=O)c1ccccc1O)c1ccccc1O.[Ni+2].[Ni+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1ccccc1[O-].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)?
The InChIKey is IRWWUZGZWFQURP-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H12N2O4.6C5H5N.2Ni/c2*17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18;6*1-2-4-6-5-3-1;;/h2*1-8,17-18H,(H,15,19)(H,16,20);6*1-5H;;/q;;;;;;;;2*+2/p-4.
What are the key properties of 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine)?
2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine) has a molecular weight of 1132.49 g/mol, XLogP of 6.32, 5 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide;bis(nickel(2+));(NZ,1Z)-2-oxido-N-[oxido-(2-oxidophenyl)methylidene]benzenecarbohydrazonate;hexakis(pyridine) is sourced from PubChem (CID 139073178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).