1-hydroxypyridin-2-one;iron

C5H5FeNO2 — CID 67301496

IUPAC1-hydroxypyridin-2-one;iron
SMILESO=c1ccccn1O.[Fe]
InChIInChI=1S/C5H5NO2.Fe/c7-5-3-1-2-4-6(5)8;/h1-4,8H;
InChIKeyURXSIKIOYXZEDM-UHFFFAOYSA-N
MW166.94 g/mol
LogP0.08
Rot. Bonds

About 1-hydroxypyridin-2-one;iron

1-hydroxypyridin-2-one;iron (PubChem CID 67301496) has the molecular formula C5H5FeNO2 and a molecular weight of 166.94 g/mol. Its IUPAC name is 1-hydroxypyridin-2-one;iron.

Molecular Properties

Compound Name1-hydroxypyridin-2-one;iron
PubChem CID67301496
Molecular FormulaC5H5FeNO2
Molecular Weight166.94 g/mol
Exact Mass166.97
IUPAC Name1-hydroxypyridin-2-one;iron
SMILESO=c1ccccn1O.[Fe]
InChIInChI=1S/C5H5NO2.Fe/c7-5-3-1-2-4-6(5)8;/h1-4,8H;
InChIKeyURXSIKIOYXZEDM-UHFFFAOYSA-N
XLogP0.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.94
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxypyridin-2-one;iron?
The IUPAC name of 1-hydroxypyridin-2-one;iron (CID 67301496) is 1-hydroxypyridin-2-one;iron.
What is the SMILES notation for 1-hydroxypyridin-2-one;iron?
The canonical SMILES for 1-hydroxypyridin-2-one;iron is O=c1ccccn1O.[Fe].
What is the InChIKey of 1-hydroxypyridin-2-one;iron?
The InChIKey is URXSIKIOYXZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.Fe/c7-5-3-1-2-4-6(5)8;/h1-4,8H;.
What are the key properties of 1-hydroxypyridin-2-one;iron?
1-hydroxypyridin-2-one;iron has a molecular weight of 166.94 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyridin-2-one;iron is sourced from PubChem (CID 67301496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).