copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate

C22H18B2CuF8N10 — CID 139154501

IUPACcopper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2BF4.Cu/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;2*2-1(3,4)5;/h2*1-9H;;;/q;;2*-1;+2
InChIKeyABEWPJSPKKGCNQ-UHFFFAOYSA-N
MW659.61 g/mol
LogP5.50
Rot. Bonds4

About copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate

copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate (PubChem CID 139154501) has the molecular formula C22H18B2CuF8N10 and a molecular weight of 659.61 g/mol. Its IUPAC name is copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namecopper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
PubChem CID139154501
Molecular FormulaC22H18B2CuF8N10
Molecular Weight659.61 g/mol
Exact Mass659.11
IUPAC Namecopper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2BF4.Cu/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;2*2-1(3,4)5;/h2*1-9H;;;/q;;2*-1;+2
InChIKeyABEWPJSPKKGCNQ-UHFFFAOYSA-N
XLogP5.50
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.61
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The IUPAC name of copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate (CID 139154501) is copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate.
What is the SMILES notation for copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The canonical SMILES for copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The InChIKey is ABEWPJSPKKGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N5.2BF4.Cu/c2*1-4-10(15-8-2-6-12-15)14-11(5-1)16-9-3-7-13-16;2*2-1(3,4)5;/h2*1-9H;;;/q;;2*-1;+2.
What are the key properties of copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate has a molecular weight of 659.61 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate is sourced from PubChem (CID 139154501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).