3-hydroxysulfanyl-1H-pyridin-2-one

C5H5NO2S — CID 67517833

IUPAC3-hydroxysulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1SO
InChIInChI=1S/C5H5NO2S/c7-5-4(9-8)2-1-3-6-5/h1-3,8H,(H,6,7)
InChIKeyMLAWEJCHWVGJBZ-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.94
Rot. Bonds1

About 3-hydroxysulfanyl-1H-pyridin-2-one

3-hydroxysulfanyl-1H-pyridin-2-one (PubChem CID 67517833) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-hydroxysulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxysulfanyl-1H-pyridin-2-one
PubChem CID67517833
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name3-hydroxysulfanyl-1H-pyridin-2-one
SMILESO=c1[nH]cccc1SO
InChIInChI=1S/C5H5NO2S/c7-5-4(9-8)2-1-3-6-5/h1-3,8H,(H,6,7)
InChIKeyMLAWEJCHWVGJBZ-UHFFFAOYSA-N
XLogP0.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxysulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-hydroxysulfanyl-1H-pyridin-2-one (CID 67517833) is 3-hydroxysulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxysulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxysulfanyl-1H-pyridin-2-one is O=c1[nH]cccc1SO.
What is the InChIKey of 3-hydroxysulfanyl-1H-pyridin-2-one?
The InChIKey is MLAWEJCHWVGJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5-4(9-8)2-1-3-6-5/h1-3,8H,(H,6,7).
What are the key properties of 3-hydroxysulfanyl-1H-pyridin-2-one?
3-hydroxysulfanyl-1H-pyridin-2-one has a molecular weight of 143.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 67517833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).