3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one

C10H8N2O2S2 — CID 15192727

IUPAC3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1SSc1ccc[nH]c1=O
InChIInChI=1S/C10H8N2O2S2/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14)
InChIKeyYUNLBOUWOMSCHF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.86
Rot. Bonds3

About 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one

3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one (PubChem CID 15192727) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one
PubChem CID15192727
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1SSc1ccc[nH]c1=O
InChIInChI=1S/C10H8N2O2S2/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14)
InChIKeyYUNLBOUWOMSCHF-UHFFFAOYSA-N
XLogP1.86
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one (CID 15192727) is 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one is O=c1[nH]cccc1SSc1ccc[nH]c1=O.
What is the InChIKey of 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one?
The InChIKey is YUNLBOUWOMSCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-9-7(3-1-5-11-9)15-16-8-4-2-6-12-10(8)14/h1-6H,(H,11,13)(H,12,14).
What are the key properties of 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one?
3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one has a molecular weight of 252.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-pyridin-3-yl)disulfanyl]-1H-pyridin-2-one is sourced from PubChem (CID 15192727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).