copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate

C20H18CuN6O11 — CID 139145179

IUPACcopper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cu+2]
InChIInChI=1S/2C10H8N2O2.Cu.2NO3.H2O/c2*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;1H2/q;;+2;2*-1;
InChIKeyYCWHYENHDDJFIU-UHFFFAOYSA-N
MW581.94 g/mol
LogP1.80
Rot. Bonds2

About copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate

copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate (PubChem CID 139145179) has the molecular formula C20H18CuN6O11 and a molecular weight of 581.94 g/mol. Its IUPAC name is copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate.

Molecular Properties

Compound Namecopper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate
PubChem CID139145179
Molecular FormulaC20H18CuN6O11
Molecular Weight581.94 g/mol
Exact Mass581.03
IUPAC Namecopper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cu+2]
InChIInChI=1S/2C10H8N2O2.Cu.2NO3.H2O/c2*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;1H2/q;;+2;2*-1;
InChIKeyYCWHYENHDDJFIU-UHFFFAOYSA-N
XLogP1.80
TPSA296.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.94
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

(6,6'-Dihydroxybipyridine-2kappa^2^N,N')[mu-6-(6-hydroxypyridin-2-yl)pyridin-2-olato-1:2kappa^3^N,N':O^2^](mu-hydroxido-1:2kappa^2^O:O')(mu-nitrato-1:2kappa^2^O:O')(nitrato-1kappaO)dicopper(II)
CID 139087768
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142293
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142294
Cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
CID 139145755
[Cu(def)(bpy)]NO3
CID 139205664
Aqua(4'-hydroxy-2,2',6',6''-terpyridyl)copper(II) perchlorate
CID 168308877
Aqua[2,6-bis(pyridin-2-yl)pyridin-4-ol]sulfatocopper(II) dihydrate
CID 168309134
Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-kappa^2^N,N')zinc(II)
CID 168309514
Dicopper;dioxidanium;bis(2-(3-hydroxy-2-pyridinyl)pyridin-3-olate);diacetate
CID 168347217
Copper;dioxidanium;2,6-dipyridin-2-ylpyridin-4-olate;nitrate;hydrate
CID 168347373
Oxidanium;cobalt(2+);4-methoxy-2,6-dipyridin-2-ylpyridine;dinitrate
CID 168347707
Dichloroosmium;bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine)
CID 59575068

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate?
The IUPAC name of copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate (CID 139145179) is copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate.
What is the SMILES notation for copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate?
The canonical SMILES for copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.[Cu+2].
What is the InChIKey of copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate?
The InChIKey is YCWHYENHDDJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2O2.Cu.2NO3.H2O/c2*13-7-1-3-11-9(5-7)10-6-8(14)2-4-12-10;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;1H2/q;;+2;2*-1;.
What are the key properties of copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate?
copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate has a molecular weight of 581.94 g/mol, XLogP of 1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-(4-hydroxy-2-pyridinyl)pyridin-4-ol);dinitrate;hydrate is sourced from PubChem (CID 139145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).