[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol

C9H10F3NO2S — CID 116616379

IUPAC[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol
SMILESOCc1ccc(OCCSC(F)(F)F)cn1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16-4-3-15-8-2-1-7(6-14)13-5-8/h1-2,5,14H,3-4,6H2
InChIKeyKSXQTLMVTRANLW-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.21
Rot. Bonds5

About [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol

[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol (PubChem CID 116616379) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol
PubChem CID116616379
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol
SMILESOCc1ccc(OCCSC(F)(F)F)cn1
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)16-4-3-15-8-2-1-7(6-14)13-5-8/h1-2,5,14H,3-4,6H2
InChIKeyKSXQTLMVTRANLW-UHFFFAOYSA-N
XLogP2.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-5-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
CID 116616479
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
CID 23467162
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
5-[[6-(hydroxymethyl)-3-pyridinyl]oxy]pentanenitrile
CID 79794446
7-[2-(trifluoromethylsulfanyl)ethoxy]naphthalen-2-ol
CID 116616550
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
1-[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-one
CID 116615978
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
CID 82850321
[5-(3-chloroprop-2-enoxy)-2-pyridinyl]methanol
CID 79800185

Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol (CID 116616379) is [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol is OCc1ccc(OCCSC(F)(F)F)cn1.
What is the InChIKey of [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol?
The InChIKey is KSXQTLMVTRANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)16-4-3-15-8-2-1-7(6-14)13-5-8/h1-2,5,14H,3-4,6H2.
What are the key properties of [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol?
[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol has a molecular weight of 253.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 116616379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).