dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate

C28H30Cl4Cu2N8O14 — CID 139170054

IUPACdicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate
SMILESO.O.O.O.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.c1cnccn1
InChIInChI=1S/2C12H10ClN3O.C4H4N2.2ClHO4.2Cu.4H2O/c2*13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12;1-2-6-4-3-5-1;2*2-1(3,4)5;;;;;;/h2*1-8,17H,(H,14,16);1-4H;2*(H,2,3,4,5);;;4*1H2/q;;;;;2*+2;;;;/p-4/b2*15-8+;;;;;;;;;
InChIKeyPIJNGQDQHDNTGW-YPIIEUKWSA-J
MW971.49 g/mol
LogP-7.83
Rot. Bonds6

About dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate

dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate (PubChem CID 139170054) has the molecular formula C28H30Cl4Cu2N8O14 and a molecular weight of 971.49 g/mol. Its IUPAC name is dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate.

Molecular Properties

Compound Namedicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate
PubChem CID139170054
Molecular FormulaC28H30Cl4Cu2N8O14
Molecular Weight971.49 g/mol
Exact Mass967.92
IUPAC Namedicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate
SMILESO.O.O.O.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.c1cnccn1
InChIInChI=1S/2C12H10ClN3O.C4H4N2.2ClHO4.2Cu.4H2O/c2*13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12;1-2-6-4-3-5-1;2*2-1(3,4)5;;;;;;/h2*1-8,17H,(H,14,16);1-4H;2*(H,2,3,4,5);;;4*1H2/q;;;;;2*+2;;;;/p-4/b2*15-8+;;;;;;;;;
InChIKeyPIJNGQDQHDNTGW-YPIIEUKWSA-J
XLogP-7.83
TPSA456.94 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.49
LogP ≤ 5-7.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate with MolForge

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Related Compounds

manganese(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 139161130
dicopper;dioxidanium;bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);diperchlorate;hydrate
CID 168338098
copper;oxidanium;4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;nitrate;hydrate
CID 168348614
copper;dioxidanium;4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate;nitrate
CID 168348615
cobalt(2+);bis(2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate)
CID 54602046

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate?
The IUPAC name of dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate (CID 139170054) is dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate.
What is the SMILES notation for dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate?
The canonical SMILES for dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate is O.O.O.O.[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.[O-]c1ccc(Cl)cc1/C=N/Nc1ccccn1.c1cnccn1.
What is the InChIKey of dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate?
The InChIKey is PIJNGQDQHDNTGW-YPIIEUKWSA-J. The full InChI is InChI=1S/2C12H10ClN3O.C4H4N2.2ClHO4.2Cu.4H2O/c2*13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12;1-2-6-4-3-5-1;2*2-1(3,4)5;;;;;;/h2*1-8,17H,(H,14,16);1-4H;2*(H,2,3,4,5);;;4*1H2/q;;;;;2*+2;;;;/p-4/b2*15-8+;;;;;;;;;.
What are the key properties of dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate?
dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate has a molecular weight of 971.49 g/mol, XLogP of -7.83, 6 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(4-chloro-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenolate);pyrazine;diperchlorate;tetrahydrate is sourced from PubChem (CID 139170054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).