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

C22H18B2F8N10Zn — CID 139154502

IUPACzinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Zn+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2BF4.Zn/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
InChIKeyBYQMRKDHNIZYCE-UHFFFAOYSA-N
MW661.45 g/mol
LogP5.50
Rot. Bonds4

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

zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate (PubChem CID 139154502) has the molecular formula C22H18B2F8N10Zn and a molecular weight of 661.45 g/mol. Its IUPAC name is zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate.

Molecular Properties

Compound Namezinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
PubChem CID139154502
Molecular FormulaC22H18B2F8N10Zn
Molecular Weight661.45 g/mol
Exact Mass660.11
IUPAC Namezinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[Zn+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2BF4.Zn/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
InChIKeyBYQMRKDHNIZYCE-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 ≤ 500661.45
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 zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The IUPAC name of zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate (CID 139154502) is zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate.
What is the SMILES notation for zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The canonical SMILES for zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[Zn+2].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
The InChIKey is BYQMRKDHNIZYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9N5.2BF4.Zn/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 zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate?
zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate has a molecular weight of 661.45 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 zinc;bis(2,6-di(pyrazol-1-yl)pyridine);ditetrafluoroborate is sourced from PubChem (CID 139154502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).