5-(disulfanyl)pyridin-3-ol

C5H5NOS2 — CID 126562430

IUPAC5-(disulfanyl)pyridin-3-ol
SMILESOc1cncc(SS)c1
InChIInChI=1S/C5H5NOS2/c7-4-1-5(9-8)3-6-2-4/h1-3,7-8H
InChIKeyVYLZRIYNLLEFEI-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.72
Rot. Bonds1

About 5-(disulfanyl)pyridin-3-ol

5-(disulfanyl)pyridin-3-ol (PubChem CID 126562430) has the molecular formula C5H5NOS2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(disulfanyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(disulfanyl)pyridin-3-ol
PubChem CID126562430
Molecular FormulaC5H5NOS2
Molecular Weight159.23 g/mol
Exact Mass158.98
IUPAC Name5-(disulfanyl)pyridin-3-ol
SMILESOc1cncc(SS)c1
InChIInChI=1S/C5H5NOS2/c7-4-1-5(9-8)3-6-2-4/h1-3,7-8H
InChIKeyVYLZRIYNLLEFEI-UHFFFAOYSA-N
XLogP1.72
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(disulfanyl)pyridin-3-ol?
The IUPAC name of 5-(disulfanyl)pyridin-3-ol (CID 126562430) is 5-(disulfanyl)pyridin-3-ol.
What is the SMILES notation for 5-(disulfanyl)pyridin-3-ol?
The canonical SMILES for 5-(disulfanyl)pyridin-3-ol is Oc1cncc(SS)c1.
What is the InChIKey of 5-(disulfanyl)pyridin-3-ol?
The InChIKey is VYLZRIYNLLEFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS2/c7-4-1-5(9-8)3-6-2-4/h1-3,7-8H.
What are the key properties of 5-(disulfanyl)pyridin-3-ol?
5-(disulfanyl)pyridin-3-ol has a molecular weight of 159.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(disulfanyl)pyridin-3-ol is sourced from PubChem (CID 126562430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).