bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate

C22H18Cl2FeN10O8 — CID 139153196

IUPACbis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate
SMILES[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2ClHO4.Fe/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;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyNICPYYWWHPGKKN-UHFFFAOYSA-L
MW677.20 g/mol
LogP-6.61
Rot. Bonds4

About bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate

bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate (PubChem CID 139153196) has the molecular formula C22H18Cl2FeN10O8 and a molecular weight of 677.20 g/mol. Its IUPAC name is bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate.

Molecular Properties

Compound Namebis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate
PubChem CID139153196
Molecular FormulaC22H18Cl2FeN10O8
Molecular Weight677.20 g/mol
Exact Mass676.00
IUPAC Namebis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate
SMILES[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H9N5.2ClHO4.Fe/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;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyNICPYYWWHPGKKN-UHFFFAOYSA-L
XLogP-6.61
TPSA281.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.20
LogP ≤ 5-6.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

2,2',2'',6Lambda4,6'lambda4,6''lambda4,8lambda4,8'lambda4,8''lambda4-nonaaza-7-cobalta-7,7',7''-spiroter[tricyclo[6.4.0.02,6]dodecane]-1(12),1'(12'),1''(12''),3,3',3'',5,5',5'',8,8',8'',10,10',10''-pentadecaene-7,7,7-tris(ylium); tris(trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane)
CID 154728151
2Lambda4,2'lambda4,6,6',12,12',16lambda4,16'lambda4,17lambda4,17'lambda4-decaaza-1-cobalta-1,1'-spirobi(pentacyclo(9.5.1.02,6.07,17.012,16)heptadecane)-2,2',4,4',7,7',9,9',11(17),11'(17'),13,13',15,15'-tetradecaene-1,1-bis(ylium); bis(trifluoro((trifluoromethanesulfonylazanidyl)sulfonyl)methane)
CID 154728746
Di-mu-nitrito-kappa^3^O:O,O';kappa^3^O,O':O-bis{[2,6-bis(pyrazol-1-yl-kappaN^2^)pyridine-kappaN](nitrito-kappa^2^O,O')cadmium(II)}
CID 139077680
Bis[2-(indazol-1-yl)-6-(pyrazol-1-yl)pyridine]iron(II) diperchlorate nitromethane solvate
CID 139142675
Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) diperchlorate
CID 139143150
Bis-[4-methyl-2,6-di{pyrazol-1-yl}pyridine]iron(II) di-hexafluorophosphate
CID 139143151
Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate
CID 139151619
Bis([2,6-di(pyrazol-1-yl)-4-pyridinyl]methanol);iron(2+);diperchlorate
CID 139152567
Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate
CID 139152568
Tricopper;hexakis(2,6-di(pyrazol-1-yl)pyridine);hexatetrafluoroborate
CID 139154500
Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate
CID 139154501
Bis-[2,6-di-(pyrazol-1-yl)pyridine]zinc(II) ditetrafluoroborate
CID 139154502

Frequently Asked Questions

What is the IUPAC name of bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate?
The IUPAC name of bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate (CID 139153196) is bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate.
What is the SMILES notation for bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate?
The canonical SMILES for bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate is [Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1cc(-n2cccn2)nc(-n2cccn2)c1.c1cc(-n2cccn2)nc(-n2cccn2)c1.
What is the InChIKey of bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate?
The InChIKey is NICPYYWWHPGKKN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9N5.2ClHO4.Fe/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;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate?
bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate has a molecular weight of 677.20 g/mol, XLogP of -6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-di(pyrazol-1-yl)pyridine);iron(2+);diperchlorate is sourced from PubChem (CID 139153196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).