sodium;iron(2+);nitroxyl anion;dichloride

Cl2FeNNaO — CID 161122717

IUPACsodium;iron(2+);nitroxyl anion;dichloride
SMILES[Cl-].[Cl-].[Fe+2].[N-]=O.[Na+]
InChIInChI=1S/2ClH.Fe.NO.Na/c;;;1-2;/h2*1H;;;/q;;+2;-1;+1/p-2
InChIKeyULDUYCQAMWBGAV-UHFFFAOYSA-L
MW179.75 g/mol
LogP-8.67
Rot. Bonds

About sodium;iron(2+);nitroxyl anion;dichloride

sodium;iron(2+);nitroxyl anion;dichloride (PubChem CID 161122717) has the molecular formula Cl2FeNNaO and a molecular weight of 179.75 g/mol. Its IUPAC name is sodium;iron(2+);nitroxyl anion;dichloride.

Molecular Properties

Compound Namesodium;iron(2+);nitroxyl anion;dichloride
PubChem CID161122717
Molecular FormulaCl2FeNNaO
Molecular Weight179.75 g/mol
Exact Mass178.86
IUPAC Namesodium;iron(2+);nitroxyl anion;dichloride
SMILES[Cl-].[Cl-].[Fe+2].[N-]=O.[Na+]
InChIInChI=1S/2ClH.Fe.NO.Na/c;;;1-2;/h2*1H;;;/q;;+2;-1;+1/p-2
InChIKeyULDUYCQAMWBGAV-UHFFFAOYSA-L
XLogP-8.67
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.75
LogP ≤ 5-8.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 12622056
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Frequently Asked Questions

What is the IUPAC name of sodium;iron(2+);nitroxyl anion;dichloride?
The IUPAC name of sodium;iron(2+);nitroxyl anion;dichloride (CID 161122717) is sodium;iron(2+);nitroxyl anion;dichloride.
What is the SMILES notation for sodium;iron(2+);nitroxyl anion;dichloride?
The canonical SMILES for sodium;iron(2+);nitroxyl anion;dichloride is [Cl-].[Cl-].[Fe+2].[N-]=O.[Na+].
What is the InChIKey of sodium;iron(2+);nitroxyl anion;dichloride?
The InChIKey is ULDUYCQAMWBGAV-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClH.Fe.NO.Na/c;;;1-2;/h2*1H;;;/q;;+2;-1;+1/p-2.
What are the key properties of sodium;iron(2+);nitroxyl anion;dichloride?
sodium;iron(2+);nitroxyl anion;dichloride has a molecular weight of 179.75 g/mol, XLogP of -8.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;iron(2+);nitroxyl anion;dichloride is sourced from PubChem (CID 161122717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).