copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate

C20H24CuN6O8 — CID 139076268

IUPACcopper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate
SMILESO.O.O.O.[Cu+2].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-]
InChIInChI=1S/2C10H8N3O2.Cu.4H2O/c2*14-12-7-3-1-5-9(12)11-10-6-2-4-8-13(10)15;;;;;/h2*1-8H;;4*1H2/q2*-1;+2;;;;
InChIKeyJHHHRWCGCWFQFZ-UHFFFAOYSA-N
MW539.99 g/mol
LogP-0.72
Rot. Bonds4

About copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate

copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate (PubChem CID 139076268) has the molecular formula C20H24CuN6O8 and a molecular weight of 539.99 g/mol. Its IUPAC name is copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate.

Molecular Properties

Compound Namecopper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate
PubChem CID139076268
Molecular FormulaC20H24CuN6O8
Molecular Weight539.99 g/mol
Exact Mass539.10
IUPAC Namecopper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate
SMILESO.O.O.O.[Cu+2].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-]
InChIInChI=1S/2C10H8N3O2.Cu.4H2O/c2*14-12-7-3-1-5-9(12)11-10-6-2-4-8-13(10)15;;;;;/h2*1-8H;;4*1H2/q2*-1;+2;;;;
InChIKeyJHHHRWCGCWFQFZ-UHFFFAOYSA-N
XLogP-0.72
TPSA261.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.99
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

MoW(dpa)4(OTf)
CID 168338072
Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate
CID 139069474
bis(N-tert-butyl-N-oxidopyridin-2-amine);bis(tert-butyl-oxo-pyridin-2-ylazanium);bis(copper(1+));diperchlorate
CID 139114632
Cr3(dpa)4(NO3)2,Et2O
CID 139119133
Cr3(dpa)4(NCO)2
CID 139119135
Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
CID 139120522
Tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
CID 139127429
Tetrakis(dipyridin-2-ylazanide);tetraphenylboranuide;tungsten;tungsten(2+)
CID 139127430
Tetrakis(dipyridin-2-ylazanide);molybdenum(2+);molybdenum(3+);tetraphenylboranuide
CID 139127431
Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate
CID 139131031
tetrakis(anilinopyridyl-N,N')divanadium(II,II), benzene solvate
CID 139131491
tetrakis(N-tert-butyl-N-oxidopyridin-2-amine);cerium(4+)
CID 139140264

Frequently Asked Questions

What is the IUPAC name of copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?
The IUPAC name of copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate (CID 139076268) is copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate.
What is the SMILES notation for copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?
The canonical SMILES for copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate is O.O.O.O.[Cu+2].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].[O-][n+]1ccccc1[N-]c1cccc[n+]1[O-].
What is the InChIKey of copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?
The InChIKey is JHHHRWCGCWFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N3O2.Cu.4H2O/c2*14-12-7-3-1-5-9(12)11-10-6-2-4-8-13(10)15;;;;;/h2*1-8H;;4*1H2/q2*-1;+2;;;;.
What are the key properties of copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate?
copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate has a molecular weight of 539.99 g/mol, XLogP of -0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(bis(1-oxidopyridin-1-ium-2-yl)azanide);tetrahydrate is sourced from PubChem (CID 139076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).