copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate

C12H12CuN3O4+ — CID 50897049

IUPACcopper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate
SMILESO.O.O=C(/N=C(\[O-])c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C12H9N3O2.Cu.2H2O/c16-11(9-5-1-3-7-13-9)15-12(17)10-6-2-4-8-14-10;;;/h1-8H,(H,15,16,17);;2*1H2/q;+2;;/p-1
InChIKeyWRUAICTXEZSEOS-UHFFFAOYSA-M
MW325.79 g/mol
LogP-1.23
Rot. Bonds2

About copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate

copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate (PubChem CID 50897049) has the molecular formula C12H12CuN3O4+ and a molecular weight of 325.79 g/mol. Its IUPAC name is copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate.

Molecular Properties

Compound Namecopper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate
PubChem CID50897049
Molecular FormulaC12H12CuN3O4+
Molecular Weight325.79 g/mol
Exact Mass325.01
IUPAC Namecopper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate
SMILESO.O.O=C(/N=C(\[O-])c1ccccn1)c1ccccn1.[Cu+2]
InChIInChI=1S/C12H9N3O2.Cu.2H2O/c16-11(9-5-1-3-7-13-9)15-12(17)10-6-2-4-8-14-10;;;/h1-8H,(H,15,16,17);;2*1H2/q;+2;;/p-1
InChIKeyWRUAICTXEZSEOS-UHFFFAOYSA-M
XLogP-1.23
TPSA141.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate?
The IUPAC name of copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate (CID 50897049) is copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate.
What is the SMILES notation for copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate?
The canonical SMILES for copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate is O.O.O=C(/N=C(\[O-])c1ccccn1)c1ccccn1.[Cu+2].
What is the InChIKey of copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate?
The InChIKey is WRUAICTXEZSEOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9N3O2.Cu.2H2O/c16-11(9-5-1-3-7-13-9)15-12(17)10-6-2-4-8-14-10;;;/h1-8H,(H,15,16,17);;2*1H2/q;+2;;/p-1.
What are the key properties of copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate?
copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate has a molecular weight of 325.79 g/mol, XLogP of -1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N-(pyridine-2-carbonyl)pyridine-2-carboximidate;dihydrate is sourced from PubChem (CID 50897049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).