copper;magnesium;pyridine;disulfate

C5H5CuMgNO8S2 — CID 174588084

IUPACcopper;magnesium;pyridine;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Mg+2].c1ccncc1
InChIInChI=1S/C5H5N.Cu.Mg.2H2O4S/c1-2-4-6-5-3-1;;;2*1-5(2,3)4/h1-5H;;;2*(H2,1,2,3,4)/q;2*+2;;/p-4
InChIKeyWGZYNZZYTOLUHP-UHFFFAOYSA-J
MW359.08 g/mol
LogP-1.98
Rot. Bonds

About copper;magnesium;pyridine;disulfate

copper;magnesium;pyridine;disulfate (PubChem CID 174588084) has the molecular formula C5H5CuMgNO8S2 and a molecular weight of 359.08 g/mol. Its IUPAC name is copper;magnesium;pyridine;disulfate.

Molecular Properties

Compound Namecopper;magnesium;pyridine;disulfate
PubChem CID174588084
Molecular FormulaC5H5CuMgNO8S2
Molecular Weight359.08 g/mol
Exact Mass357.86
IUPAC Namecopper;magnesium;pyridine;disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Mg+2].c1ccncc1
InChIInChI=1S/C5H5N.Cu.Mg.2H2O4S/c1-2-4-6-5-3-1;;;2*1-5(2,3)4/h1-5H;;;2*(H2,1,2,3,4)/q;2*+2;;/p-4
InChIKeyWGZYNZZYTOLUHP-UHFFFAOYSA-J
XLogP-1.98
TPSA173.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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pyridine
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pyridine
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pyridine;sulfuric acid;dihydrobromide
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CID 174625077
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Frequently Asked Questions

What is the IUPAC name of copper;magnesium;pyridine;disulfate?
The IUPAC name of copper;magnesium;pyridine;disulfate (CID 174588084) is copper;magnesium;pyridine;disulfate.
What is the SMILES notation for copper;magnesium;pyridine;disulfate?
The canonical SMILES for copper;magnesium;pyridine;disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Mg+2].c1ccncc1.
What is the InChIKey of copper;magnesium;pyridine;disulfate?
The InChIKey is WGZYNZZYTOLUHP-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H5N.Cu.Mg.2H2O4S/c1-2-4-6-5-3-1;;;2*1-5(2,3)4/h1-5H;;;2*(H2,1,2,3,4)/q;2*+2;;/p-4.
What are the key properties of copper;magnesium;pyridine;disulfate?
copper;magnesium;pyridine;disulfate has a molecular weight of 359.08 g/mol, XLogP of -1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;magnesium;pyridine;disulfate is sourced from PubChem (CID 174588084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).