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

C24H18CuN8O6 — CID 139165102

IUPACcopper;bis(2-pyridin-2-ylindazole);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-n2cc3ccccc3n2)nc1.c1ccc(-n2cc3ccccc3n2)nc1
InChIInChI=1S/2C12H9N3.Cu.2NO3/c2*1-2-6-11-10(5-1)9-15(14-11)12-7-3-4-8-13-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1
InChIKeyKLBYDMPNJGNHII-UHFFFAOYSA-N
MW578.00 g/mol
LogP4.36
Rot. Bonds2

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

copper;bis(2-pyridin-2-ylindazole);dinitrate (PubChem CID 139165102) has the molecular formula C24H18CuN8O6 and a molecular weight of 578.00 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylindazole);dinitrate.

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylindazole);dinitrate
PubChem CID139165102
Molecular FormulaC24H18CuN8O6
Molecular Weight578.00 g/mol
Exact Mass577.06
IUPAC Namecopper;bis(2-pyridin-2-ylindazole);dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-n2cc3ccccc3n2)nc1.c1ccc(-n2cc3ccccc3n2)nc1
InChIInChI=1S/2C12H9N3.Cu.2NO3/c2*1-2-6-11-10(5-1)9-15(14-11)12-7-3-4-8-13-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1
InChIKeyKLBYDMPNJGNHII-UHFFFAOYSA-N
XLogP4.36
TPSA193.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.00
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylindazole);dinitrate?
The IUPAC name of copper;bis(2-pyridin-2-ylindazole);dinitrate (CID 139165102) is copper;bis(2-pyridin-2-ylindazole);dinitrate.
What is the SMILES notation for copper;bis(2-pyridin-2-ylindazole);dinitrate?
The canonical SMILES for copper;bis(2-pyridin-2-ylindazole);dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].c1ccc(-n2cc3ccccc3n2)nc1.c1ccc(-n2cc3ccccc3n2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylindazole);dinitrate?
The InChIKey is KLBYDMPNJGNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N3.Cu.2NO3/c2*1-2-6-11-10(5-1)9-15(14-11)12-7-3-4-8-13-12;;2*2-1(3)4/h2*1-9H;;;/q;;+2;2*-1.
What are the key properties of copper;bis(2-pyridin-2-ylindazole);dinitrate?
copper;bis(2-pyridin-2-ylindazole);dinitrate has a molecular weight of 578.00 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-pyridin-2-ylindazole);dinitrate is sourced from PubChem (CID 139165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).