zinc 3-hydroxy-1H-pyridin-2-one

C5H5NO2Zn+2 — CID 19870745

IUPACzinc 3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cccc1O.[Zn+2]
InChIInChI=1S/C5H5NO2.Zn/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+2
InChIKeyRTPJDMLMMQTIMQ-UHFFFAOYSA-N
MW176.49 g/mol
LogP0.08
Rot. Bonds

About zinc 3-hydroxy-1H-pyridin-2-one

zinc 3-hydroxy-1H-pyridin-2-one (PubChem CID 19870745) has the molecular formula C5H5NO2Zn+2 and a molecular weight of 176.49 g/mol. Its IUPAC name is zinc 3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Namezinc 3-hydroxy-1H-pyridin-2-one
PubChem CID19870745
Molecular FormulaC5H5NO2Zn+2
Molecular Weight176.49 g/mol
Exact Mass174.96
IUPAC Namezinc 3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cccc1O.[Zn+2]
InChIInChI=1S/C5H5NO2.Zn/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+2
InChIKeyRTPJDMLMMQTIMQ-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 ≤ 500176.49
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 zinc 3-hydroxy-1H-pyridin-2-one?
The IUPAC name of zinc 3-hydroxy-1H-pyridin-2-one (CID 19870745) is zinc 3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for zinc 3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for zinc 3-hydroxy-1H-pyridin-2-one is O=c1[nH]cccc1O.[Zn+2].
What is the InChIKey of zinc 3-hydroxy-1H-pyridin-2-one?
The InChIKey is RTPJDMLMMQTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.Zn/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);/q;+2.
What are the key properties of zinc 3-hydroxy-1H-pyridin-2-one?
zinc 3-hydroxy-1H-pyridin-2-one has a molecular weight of 176.49 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 zinc 3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 19870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).