dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate

C20H16Cu2N6O11 — CID 139087768

IUPACdicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1cccc(-c2cccc(O)n2)n1.[Cu+2].[Cu+2].[O-]c1cccc(-c2cccc(O)n2)n1.[OH-]
InChIInChI=1S/2C10H8N2O2.2Cu.2NO3.H2O/c2*13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;;1H2/q;;2*+2;2*-1;/p-2
InChIKeyABXGTOSNSDQBPH-UHFFFAOYSA-L
MW643.47 g/mol
LogP1.82
Rot. Bonds2

About dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate

dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate (PubChem CID 139087768) has the molecular formula C20H16Cu2N6O11 and a molecular weight of 643.47 g/mol. Its IUPAC name is dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate.

Molecular Properties

Compound Namedicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate
PubChem CID139087768
Molecular FormulaC20H16Cu2N6O11
Molecular Weight643.47 g/mol
Exact Mass641.95
IUPAC Namedicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1cccc(-c2cccc(O)n2)n1.[Cu+2].[Cu+2].[O-]c1cccc(-c2cccc(O)n2)n1.[OH-]
InChIInChI=1S/2C10H8N2O2.2Cu.2NO3.H2O/c2*13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;;1H2/q;;2*+2;2*-1;/p-2
InChIKeyABXGTOSNSDQBPH-UHFFFAOYSA-L
XLogP1.82
TPSA297.71 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.47
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate?
The IUPAC name of dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate (CID 139087768) is dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate.
What is the SMILES notation for dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate?
The canonical SMILES for dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].Oc1cccc(-c2cccc(O)n2)n1.[Cu+2].[Cu+2].[O-]c1cccc(-c2cccc(O)n2)n1.[OH-].
What is the InChIKey of dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate?
The InChIKey is ABXGTOSNSDQBPH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2O2.2Cu.2NO3.H2O/c2*13-9-5-1-3-7(11-9)8-4-2-6-10(14)12-8;;;2*2-1(3)4;/h2*1-6H,(H,11,13)(H,12,14);;;;;1H2/q;;2*+2;2*-1;/p-2.
What are the key properties of dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate?
dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate has a molecular weight of 643.47 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;6-(6-hydroxy-2-pyridinyl)pyridin-2-ol;6-(6-hydroxy-2-pyridinyl)pyridin-2-olate;hydroxide;dinitrate is sourced from PubChem (CID 139087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).