iron(2+);neodymium(3+);pentanitrate

FeN5NdO15 — CID 161062059

IUPACiron(2+);neodymium(3+);pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Nd+3]
InChIInChI=1S/Fe.5NO3.Nd/c;5*2-1(3)4;/q+2;5*-1;+3
InChIKeyUDNJBXDHFOEVGL-UHFFFAOYSA-N
MW510.11 g/mol
LogP-1.20
Rot. Bonds

About iron(2+);neodymium(3+);pentanitrate

iron(2+);neodymium(3+);pentanitrate (PubChem CID 161062059) has the molecular formula FeN5NdO15 and a molecular weight of 510.11 g/mol. Its IUPAC name is iron(2+);neodymium(3+);pentanitrate.

Molecular Properties

Compound Nameiron(2+);neodymium(3+);pentanitrate
PubChem CID161062059
Molecular FormulaFeN5NdO15
Molecular Weight510.11 g/mol
Exact Mass507.78
IUPAC Nameiron(2+);neodymium(3+);pentanitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Nd+3]
InChIInChI=1S/Fe.5NO3.Nd/c;5*2-1(3)4;/q+2;5*-1;+3
InChIKeyUDNJBXDHFOEVGL-UHFFFAOYSA-N
XLogP-1.20
TPSA331.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.11
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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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CID 160508413
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CID 160556784
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CID 174987261
bismuth;cobalt(2+);iron(2+);heptanitrate
CID 131723207
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
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CID 19804472
platinum pentanitrate
CID 173027999
aluminum trinitrate
CID 26053
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CID 24983
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Frequently Asked Questions

What is the IUPAC name of iron(2+);neodymium(3+);pentanitrate?
The IUPAC name of iron(2+);neodymium(3+);pentanitrate (CID 161062059) is iron(2+);neodymium(3+);pentanitrate.
What is the SMILES notation for iron(2+);neodymium(3+);pentanitrate?
The canonical SMILES for iron(2+);neodymium(3+);pentanitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Nd+3].
What is the InChIKey of iron(2+);neodymium(3+);pentanitrate?
The InChIKey is UDNJBXDHFOEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.5NO3.Nd/c;5*2-1(3)4;/q+2;5*-1;+3.
What are the key properties of iron(2+);neodymium(3+);pentanitrate?
iron(2+);neodymium(3+);pentanitrate has a molecular weight of 510.11 g/mol, XLogP of -1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);neodymium(3+);pentanitrate is sourced from PubChem (CID 161062059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).