3-hydroxy-1H-pyridin-2-one;iron(3+)

C5H5FeNO2+3 — CID 18688763

IUPAC3-hydroxy-1H-pyridin-2-one;iron(3+)
SMILESO=c1[nH]cccc1O.[Fe+3]
InChIInChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+3
InChIKeyCIXCLWDVLIFJBV-UHFFFAOYSA-N
MW166.94 g/mol
LogP0.08
Rot. Bonds

About 3-hydroxy-1H-pyridin-2-one;iron(3+)

3-hydroxy-1H-pyridin-2-one;iron(3+) (PubChem CID 18688763) has the molecular formula C5H5FeNO2+3 and a molecular weight of 166.94 g/mol. Its IUPAC name is 3-hydroxy-1H-pyridin-2-one;iron(3+).

Molecular Properties

Compound Name3-hydroxy-1H-pyridin-2-one;iron(3+)
PubChem CID18688763
Molecular FormulaC5H5FeNO2+3
Molecular Weight166.94 g/mol
Exact Mass166.97
IUPAC Name3-hydroxy-1H-pyridin-2-one;iron(3+)
SMILESO=c1[nH]cccc1O.[Fe+3]
InChIInChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+3
InChIKeyCIXCLWDVLIFJBV-UHFFFAOYSA-N
XLogP0.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.94
LogP ≤ 50.08
H-Bond Donors ≤ 52
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-hydroxy-1H-pyridin-2-one;iron(3+)?
The IUPAC name of 3-hydroxy-1H-pyridin-2-one;iron(3+) (CID 18688763) is 3-hydroxy-1H-pyridin-2-one;iron(3+).
What is the SMILES notation for 3-hydroxy-1H-pyridin-2-one;iron(3+)?
The canonical SMILES for 3-hydroxy-1H-pyridin-2-one;iron(3+) is O=c1[nH]cccc1O.[Fe+3].
What is the InChIKey of 3-hydroxy-1H-pyridin-2-one;iron(3+)?
The InChIKey is CIXCLWDVLIFJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.Fe/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+3.
What are the key properties of 3-hydroxy-1H-pyridin-2-one;iron(3+)?
3-hydroxy-1H-pyridin-2-one;iron(3+) has a molecular weight of 166.94 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-pyridin-2-one;iron(3+) is sourced from PubChem (CID 18688763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).