iron(2+);nitrite;sulfate

FeNO6S- — CID 174830738

IUPACiron(2+);nitrite;sulfate
SMILESO=N[O-].O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/Fe.HNO2.H2O4S/c;2-1-3;1-5(2,3)4/h;(H,2,3);(H2,1,2,3,4)/q+2;;/p-3
InChIKeyZDLQXZQGETZCQP-UHFFFAOYSA-K
MW197.91 g/mol
LogP-1.09
Rot. Bonds

About iron(2+);nitrite;sulfate

iron(2+);nitrite;sulfate (PubChem CID 174830738) has the molecular formula FeNO6S- and a molecular weight of 197.91 g/mol. Its IUPAC name is iron(2+);nitrite;sulfate.

Molecular Properties

Compound Nameiron(2+);nitrite;sulfate
PubChem CID174830738
Molecular FormulaFeNO6S-
Molecular Weight197.91 g/mol
Exact Mass197.88
IUPAC Nameiron(2+);nitrite;sulfate
SMILESO=N[O-].O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/Fe.HNO2.H2O4S/c;2-1-3;1-5(2,3)4/h;(H,2,3);(H2,1,2,3,4)/q+2;;/p-3
InChIKeyZDLQXZQGETZCQP-UHFFFAOYSA-K
XLogP-1.09
TPSA132.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.91
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron(2+);nitrite;sulfate?
The IUPAC name of iron(2+);nitrite;sulfate (CID 174830738) is iron(2+);nitrite;sulfate.
What is the SMILES notation for iron(2+);nitrite;sulfate?
The canonical SMILES for iron(2+);nitrite;sulfate is O=N[O-].O=S(=O)([O-])[O-].[Fe+2].
What is the InChIKey of iron(2+);nitrite;sulfate?
The InChIKey is ZDLQXZQGETZCQP-UHFFFAOYSA-K. The full InChI is InChI=1S/Fe.HNO2.H2O4S/c;2-1-3;1-5(2,3)4/h;(H,2,3);(H2,1,2,3,4)/q+2;;/p-3.
What are the key properties of iron(2+);nitrite;sulfate?
iron(2+);nitrite;sulfate has a molecular weight of 197.91 g/mol, XLogP of -1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);nitrite;sulfate is sourced from PubChem (CID 174830738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).