iron;nitric acid;nonahydrate

H19FeNO12 — CID 161165031

IUPACiron;nitric acid;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=[N+]([O-])O.[Fe]
InChIInChI=1S/Fe.HNO3.9H2O/c;2-1(3)4;;;;;;;;;/h;(H,2,3,4);9*1H2
InChIKeyUQKJXHDXQKZNTG-UHFFFAOYSA-N
MW280.99 g/mol
LogP-7.77
Rot. Bonds

About iron;nitric acid;nonahydrate

iron;nitric acid;nonahydrate (PubChem CID 161165031) has the molecular formula H19FeNO12 and a molecular weight of 280.99 g/mol. Its IUPAC name is iron;nitric acid;nonahydrate.

Molecular Properties

Compound Nameiron;nitric acid;nonahydrate
PubChem CID161165031
Molecular FormulaH19FeNO12
Molecular Weight280.99 g/mol
Exact Mass281.03
IUPAC Nameiron;nitric acid;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=[N+]([O-])O.[Fe]
InChIInChI=1S/Fe.HNO3.9H2O/c;2-1(3)4;;;;;;;;;/h;(H,2,3,4);9*1H2
InChIKeyUQKJXHDXQKZNTG-UHFFFAOYSA-N
XLogP-7.77
TPSA346.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.99
LogP ≤ 5-7.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tris(nitric acid);hexahydrate
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tris(nitric acid);ytterbium;pentahydrate
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bis(nitric acid);hydrate;hydrofluoride
CID 174552935
bis(nitric acid);palladium(2+);hydrate
CID 169410102
bis(nitric acid);uranium;dihydrate
CID 170844297
nickel;nitric acid;heptahydrate
CID 173389970
nickel;nitric acid;nonahydrate
CID 173200755
gadolinium;tris(nitric acid);pentahydrate
CID 131880314
CID 170924127
CID 170924127
nitric acid;vanadium;dihydrate
CID 174936942
tris(nitric acid);yttrium;tetrahydrate
CID 131873138

Frequently Asked Questions

What is the IUPAC name of iron;nitric acid;nonahydrate?
The IUPAC name of iron;nitric acid;nonahydrate (CID 161165031) is iron;nitric acid;nonahydrate.
What is the SMILES notation for iron;nitric acid;nonahydrate?
The canonical SMILES for iron;nitric acid;nonahydrate is O.O.O.O.O.O.O.O.O.O=[N+]([O-])O.[Fe].
What is the InChIKey of iron;nitric acid;nonahydrate?
The InChIKey is UQKJXHDXQKZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.HNO3.9H2O/c;2-1(3)4;;;;;;;;;/h;(H,2,3,4);9*1H2.
What are the key properties of iron;nitric acid;nonahydrate?
iron;nitric acid;nonahydrate has a molecular weight of 280.99 g/mol, XLogP of -7.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;nitric acid;nonahydrate is sourced from PubChem (CID 161165031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).