3-hydroxypyridin-1-id-2-one;iron

C5H4FeNO2- — CID 69140048

IUPAC3-hydroxypyridin-1-id-2-one;iron
SMILESO=c1[n-]cccc1O.[Fe]
InChIInChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3H,(H2,6,7,8);/p-1
InChIKeyVDCBSHJAUTVRBV-UHFFFAOYSA-M
MW165.94 g/mol
LogP-0.29
Rot. Bonds

About 3-hydroxypyridin-1-id-2-one;iron

3-hydroxypyridin-1-id-2-one;iron (PubChem CID 69140048) has the molecular formula C5H4FeNO2- and a molecular weight of 165.94 g/mol. Its IUPAC name is 3-hydroxypyridin-1-id-2-one;iron.

Molecular Properties

Compound Name3-hydroxypyridin-1-id-2-one;iron
PubChem CID69140048
Molecular FormulaC5H4FeNO2-
Molecular Weight165.94 g/mol
Exact Mass165.96
IUPAC Name3-hydroxypyridin-1-id-2-one;iron
SMILESO=c1[n-]cccc1O.[Fe]
InChIInChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3H,(H2,6,7,8);/p-1
InChIKeyVDCBSHJAUTVRBV-UHFFFAOYSA-M
XLogP-0.29
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.94
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyridin-1-id-2-one;iron?
The IUPAC name of 3-hydroxypyridin-1-id-2-one;iron (CID 69140048) is 3-hydroxypyridin-1-id-2-one;iron.
What is the SMILES notation for 3-hydroxypyridin-1-id-2-one;iron?
The canonical SMILES for 3-hydroxypyridin-1-id-2-one;iron is O=c1[n-]cccc1O.[Fe].
What is the InChIKey of 3-hydroxypyridin-1-id-2-one;iron?
The InChIKey is VDCBSHJAUTVRBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3H,(H2,6,7,8);/p-1.
What are the key properties of 3-hydroxypyridin-1-id-2-one;iron?
3-hydroxypyridin-1-id-2-one;iron has a molecular weight of 165.94 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyridin-1-id-2-one;iron is sourced from PubChem (CID 69140048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).