2-octylsulfanylpyridin-3-ol

C13H21NOS — CID 25140873

IUPAC2-octylsulfanylpyridin-3-ol
SMILESCCCCCCCCSc1ncccc1O
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-11-16-13-12(15)9-8-10-14-13/h8-10,15H,2-7,11H2,1H3
InChIKeyJVMNDWNOAUEALE-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.24
Rot. Bonds8

About 2-octylsulfanylpyridin-3-ol

2-octylsulfanylpyridin-3-ol (PubChem CID 25140873) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-octylsulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-octylsulfanylpyridin-3-ol
PubChem CID25140873
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-octylsulfanylpyridin-3-ol
SMILESCCCCCCCCSc1ncccc1O
InChIInChI=1S/C13H21NOS/c1-2-3-4-5-6-7-11-16-13-12(15)9-8-10-14-13/h8-10,15H,2-7,11H2,1H3
InChIKeyJVMNDWNOAUEALE-UHFFFAOYSA-N
XLogP4.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octylsulfanylpyridin-3-ol?
The IUPAC name of 2-octylsulfanylpyridin-3-ol (CID 25140873) is 2-octylsulfanylpyridin-3-ol.
What is the SMILES notation for 2-octylsulfanylpyridin-3-ol?
The canonical SMILES for 2-octylsulfanylpyridin-3-ol is CCCCCCCCSc1ncccc1O.
What is the InChIKey of 2-octylsulfanylpyridin-3-ol?
The InChIKey is JVMNDWNOAUEALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-3-4-5-6-7-11-16-13-12(15)9-8-10-14-13/h8-10,15H,2-7,11H2,1H3.
What are the key properties of 2-octylsulfanylpyridin-3-ol?
2-octylsulfanylpyridin-3-ol has a molecular weight of 239.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylsulfanylpyridin-3-ol is sourced from PubChem (CID 25140873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).