2-pyridin-2-ylsulfinylethanol

C7H9NO2S — CID 54422072

IUPAC2-pyridin-2-ylsulfinylethanol
SMILESO=S(CCO)c1ccccn1
InChIInChI=1S/C7H9NO2S/c9-5-6-11(10)7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyKKECEPBWKWLATR-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.18
Rot. Bonds3

About 2-pyridin-2-ylsulfinylethanol

2-pyridin-2-ylsulfinylethanol (PubChem CID 54422072) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfinylethanol.

Molecular Properties

Compound Name2-pyridin-2-ylsulfinylethanol
PubChem CID54422072
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-pyridin-2-ylsulfinylethanol
SMILESO=S(CCO)c1ccccn1
InChIInChI=1S/C7H9NO2S/c9-5-6-11(10)7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChIKeyKKECEPBWKWLATR-UHFFFAOYSA-N
XLogP0.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfinylethanol?
The IUPAC name of 2-pyridin-2-ylsulfinylethanol (CID 54422072) is 2-pyridin-2-ylsulfinylethanol.
What is the SMILES notation for 2-pyridin-2-ylsulfinylethanol?
The canonical SMILES for 2-pyridin-2-ylsulfinylethanol is O=S(CCO)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylsulfinylethanol?
The InChIKey is KKECEPBWKWLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c9-5-6-11(10)7-3-1-2-4-8-7/h1-4,9H,5-6H2.
What are the key properties of 2-pyridin-2-ylsulfinylethanol?
2-pyridin-2-ylsulfinylethanol has a molecular weight of 171.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfinylethanol is sourced from PubChem (CID 54422072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).