copper;bis(2-pyridin-2-ylpyridine);dinitrate

C20H16CuN6O6 — CID 139067352

IUPACcopper;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNXBARPQJWGUZEG-UHFFFAOYSA-N
MW499.93 g/mol
LogP3.81
Rot. Bonds2

About copper;bis(2-pyridin-2-ylpyridine);dinitrate

copper;bis(2-pyridin-2-ylpyridine);dinitrate (PubChem CID 139067352) has the molecular formula C20H16CuN6O6 and a molecular weight of 499.93 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylpyridine);dinitrate.

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylpyridine);dinitrate
PubChem CID139067352
Molecular FormulaC20H16CuN6O6
Molecular Weight499.93 g/mol
Exact Mass499.04
IUPAC Namecopper;bis(2-pyridin-2-ylpyridine);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1
InChIKeyNXBARPQJWGUZEG-UHFFFAOYSA-N
XLogP3.81
TPSA183.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.93
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
Ruthenium(2+), dichlorotetrakis(2-pyridyl)-, dihydrate (Z)-
CID 3054377

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylpyridine);dinitrate?
The IUPAC name of copper;bis(2-pyridin-2-ylpyridine);dinitrate (CID 139067352) is copper;bis(2-pyridin-2-ylpyridine);dinitrate.
What is the SMILES notation for copper;bis(2-pyridin-2-ylpyridine);dinitrate?
The canonical SMILES for copper;bis(2-pyridin-2-ylpyridine);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylpyridine);dinitrate?
The InChIKey is NXBARPQJWGUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.Cu.2NO3/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4/h2*1-8H;;;/q;;+2;2*-1.
What are the key properties of copper;bis(2-pyridin-2-ylpyridine);dinitrate?
copper;bis(2-pyridin-2-ylpyridine);dinitrate has a molecular weight of 499.93 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-pyridin-2-ylpyridine);dinitrate is sourced from PubChem (CID 139067352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).