2-phenylsulfanylpyridin-3-ol

C11H9NOS — CID 23506217

IUPAC2-phenylsulfanylpyridin-3-ol
SMILESOc1cccnc1Sc1ccccc1
InChIInChI=1S/C11H9NOS/c13-10-7-4-8-12-11(10)14-9-5-2-1-3-6-9/h1-8,13H
InChIKeyCYRIYVHYQAKOTK-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.94
Rot. Bonds2

About 2-phenylsulfanylpyridin-3-ol

2-phenylsulfanylpyridin-3-ol (PubChem CID 23506217) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-phenylsulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-phenylsulfanylpyridin-3-ol
PubChem CID23506217
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-phenylsulfanylpyridin-3-ol
SMILESOc1cccnc1Sc1ccccc1
InChIInChI=1S/C11H9NOS/c13-10-7-4-8-12-11(10)14-9-5-2-1-3-6-9/h1-8,13H
InChIKeyCYRIYVHYQAKOTK-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpyridin-3-ol?
The IUPAC name of 2-phenylsulfanylpyridin-3-ol (CID 23506217) is 2-phenylsulfanylpyridin-3-ol.
What is the SMILES notation for 2-phenylsulfanylpyridin-3-ol?
The canonical SMILES for 2-phenylsulfanylpyridin-3-ol is Oc1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylpyridin-3-ol?
The InChIKey is CYRIYVHYQAKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-10-7-4-8-12-11(10)14-9-5-2-1-3-6-9/h1-8,13H.
What are the key properties of 2-phenylsulfanylpyridin-3-ol?
2-phenylsulfanylpyridin-3-ol has a molecular weight of 203.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpyridin-3-ol is sourced from PubChem (CID 23506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).