2-methylsulfanyloxy-5-(trifluoromethyl)pyridine

C7H6F3NOS — CID 129204089

IUPAC2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
SMILESCSOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NOS/c1-13-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKeyNPDUZRWXNUITII-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.76
Rot. Bonds2

About 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine

2-methylsulfanyloxy-5-(trifluoromethyl)pyridine (PubChem CID 129204089) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
PubChem CID129204089
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
SMILESCSOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NOS/c1-13-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKeyNPDUZRWXNUITII-UHFFFAOYSA-N
XLogP2.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine 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

5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
[5-(trifluoromethyl)-2-pyridinyl] 2-hydroxyacetate
CID 86171784
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 170977357

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine (CID 129204089) is 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine is CSOc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine?
The InChIKey is NPDUZRWXNUITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-13-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3.
What are the key properties of 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine?
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine has a molecular weight of 209.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyloxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 129204089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).