1-hydroxypyrimidin-2-one;iron(3+)

C4H4FeN2O2+3 — CID 90200992

IUPAC1-hydroxypyrimidin-2-one;iron(3+)
SMILESO=c1ncccn1O.[Fe+3]
InChIInChI=1S/C4H4N2O2.Fe/c7-4-5-2-1-3-6(4)8;/h1-3,8H;/q;+3
InChIKeyOJLSUCOGTJXEGY-UHFFFAOYSA-N
MW167.93 g/mol
LogP-0.52
Rot. Bonds

About 1-hydroxypyrimidin-2-one;iron(3+)

1-hydroxypyrimidin-2-one;iron(3+) (PubChem CID 90200992) has the molecular formula C4H4FeN2O2+3 and a molecular weight of 167.93 g/mol. Its IUPAC name is 1-hydroxypyrimidin-2-one;iron(3+).

Molecular Properties

Compound Name1-hydroxypyrimidin-2-one;iron(3+)
PubChem CID90200992
Molecular FormulaC4H4FeN2O2+3
Molecular Weight167.93 g/mol
Exact Mass167.96
IUPAC Name1-hydroxypyrimidin-2-one;iron(3+)
SMILESO=c1ncccn1O.[Fe+3]
InChIInChI=1S/C4H4N2O2.Fe/c7-4-5-2-1-3-6(4)8;/h1-3,8H;/q;+3
InChIKeyOJLSUCOGTJXEGY-UHFFFAOYSA-N
XLogP-0.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.93
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrimidin-2-one;iron(3+)?
The IUPAC name of 1-hydroxypyrimidin-2-one;iron(3+) (CID 90200992) is 1-hydroxypyrimidin-2-one;iron(3+).
What is the SMILES notation for 1-hydroxypyrimidin-2-one;iron(3+)?
The canonical SMILES for 1-hydroxypyrimidin-2-one;iron(3+) is O=c1ncccn1O.[Fe+3].
What is the InChIKey of 1-hydroxypyrimidin-2-one;iron(3+)?
The InChIKey is OJLSUCOGTJXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.Fe/c7-4-5-2-1-3-6(4)8;/h1-3,8H;/q;+3.
What are the key properties of 1-hydroxypyrimidin-2-one;iron(3+)?
1-hydroxypyrimidin-2-one;iron(3+) has a molecular weight of 167.93 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrimidin-2-one;iron(3+) is sourced from PubChem (CID 90200992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).