copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate

C10H14CuN4O9 — CID 173290754

IUPACcopper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
SMILESO.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.Cu.2NO3.3H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;/h1-8H;;;;3*1H2/q;+2;2*-1;;;
InChIKeyZPWBFLVGPNYRFQ-UHFFFAOYSA-N
MW397.79 g/mol
LogP-0.81
Rot. Bonds1

About copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate

copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate (PubChem CID 173290754) has the molecular formula C10H14CuN4O9 and a molecular weight of 397.79 g/mol. Its IUPAC name is copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate.

Molecular Properties

Compound Namecopper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
PubChem CID173290754
Molecular FormulaC10H14CuN4O9
Molecular Weight397.79 g/mol
Exact Mass397.01
IUPAC Namecopper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
SMILESO.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.Cu.2NO3.3H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;/h1-8H;;;;3*1H2/q;+2;2*-1;;;
InChIKeyZPWBFLVGPNYRFQ-UHFFFAOYSA-N
XLogP-0.81
TPSA252.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
CID 139126662
europium(3+);2,3,5,6-tetrapyridin-2-ylpyrazine-1,4-diium;pentanitrate
CID 139204344
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
pyrrolo[3,2-b]azepine
CID 66934182
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125

Frequently Asked Questions

What is the IUPAC name of copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate?
The IUPAC name of copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate (CID 173290754) is copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate.
What is the SMILES notation for copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate?
The canonical SMILES for copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate is O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate?
The InChIKey is ZPWBFLVGPNYRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.Cu.2NO3.3H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;/h1-8H;;;;3*1H2/q;+2;2*-1;;;.
What are the key properties of copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate?
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate has a molecular weight of 397.79 g/mol, XLogP of -0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate is sourced from PubChem (CID 173290754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).