2-(2-phenylsulfanylethynyl)pyridin-3-ol

C13H9NOS — CID 14948593

IUPAC2-(2-phenylsulfanylethynyl)pyridin-3-ol
SMILESOc1cccnc1C#CSc1ccccc1
InChIInChI=1S/C13H9NOS/c15-13-7-4-9-14-12(13)8-10-16-11-5-2-1-3-6-11/h1-7,9,15H
InChIKeyYWNWENZOHRUINT-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.89
Rot. Bonds1

About 2-(2-phenylsulfanylethynyl)pyridin-3-ol

2-(2-phenylsulfanylethynyl)pyridin-3-ol (PubChem CID 14948593) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethynyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(2-phenylsulfanylethynyl)pyridin-3-ol
PubChem CID14948593
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-(2-phenylsulfanylethynyl)pyridin-3-ol
SMILESOc1cccnc1C#CSc1ccccc1
InChIInChI=1S/C13H9NOS/c15-13-7-4-9-14-12(13)8-10-16-11-5-2-1-3-6-11/h1-7,9,15H
InChIKeyYWNWENZOHRUINT-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethynyl)pyridin-3-ol?
The IUPAC name of 2-(2-phenylsulfanylethynyl)pyridin-3-ol (CID 14948593) is 2-(2-phenylsulfanylethynyl)pyridin-3-ol.
What is the SMILES notation for 2-(2-phenylsulfanylethynyl)pyridin-3-ol?
The canonical SMILES for 2-(2-phenylsulfanylethynyl)pyridin-3-ol is Oc1cccnc1C#CSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethynyl)pyridin-3-ol?
The InChIKey is YWNWENZOHRUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13-7-4-9-14-12(13)8-10-16-11-5-2-1-3-6-11/h1-7,9,15H.
What are the key properties of 2-(2-phenylsulfanylethynyl)pyridin-3-ol?
2-(2-phenylsulfanylethynyl)pyridin-3-ol has a molecular weight of 227.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethynyl)pyridin-3-ol is sourced from PubChem (CID 14948593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).