2-(4-ethylsulfanylphenyl)pyridin-3-ol

C13H13NOS — CID 53217962

IUPAC2-(4-ethylsulfanylphenyl)pyridin-3-ol
SMILESCCSc1ccc(-c2ncccc2O)cc1
InChIInChI=1S/C13H13NOS/c1-2-16-11-7-5-10(6-8-11)13-12(15)4-3-9-14-13/h3-9,15H,2H2,1H3
InChIKeyDQOXSDSEFWOROC-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.57
Rot. Bonds3

About 2-(4-ethylsulfanylphenyl)pyridin-3-ol

2-(4-ethylsulfanylphenyl)pyridin-3-ol (PubChem CID 53217962) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)pyridin-3-ol
PubChem CID53217962
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(4-ethylsulfanylphenyl)pyridin-3-ol
SMILESCCSc1ccc(-c2ncccc2O)cc1
InChIInChI=1S/C13H13NOS/c1-2-16-11-7-5-10(6-8-11)13-12(15)4-3-9-14-13/h3-9,15H,2H2,1H3
InChIKeyDQOXSDSEFWOROC-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)pyridin-3-ol?
The IUPAC name of 2-(4-ethylsulfanylphenyl)pyridin-3-ol (CID 53217962) is 2-(4-ethylsulfanylphenyl)pyridin-3-ol.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)pyridin-3-ol?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)pyridin-3-ol is CCSc1ccc(-c2ncccc2O)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)pyridin-3-ol?
The InChIKey is DQOXSDSEFWOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-2-16-11-7-5-10(6-8-11)13-12(15)4-3-9-14-13/h3-9,15H,2H2,1H3.
What are the key properties of 2-(4-ethylsulfanylphenyl)pyridin-3-ol?
2-(4-ethylsulfanylphenyl)pyridin-3-ol has a molecular weight of 231.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)pyridin-3-ol is sourced from PubChem (CID 53217962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).