3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

C10H12F3NO2S — CID 162700532

IUPAC3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1CS(C)=O
InChIInChI=1S/C10H12F3NO2S/c1-7-8(5-17(2)15)14-4-3-9(7)16-6-10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyNACYETXENFMBCN-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.21
Rot. Bonds4

About 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 162700532) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID162700532
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1CS(C)=O
InChIInChI=1S/C10H12F3NO2S/c1-7-8(5-17(2)15)14-4-3-9(7)16-6-10(11,12)13/h3-4H,5-6H2,1-2H3
InChIKeyNACYETXENFMBCN-UHFFFAOYSA-N
XLogP2.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (CID 162700532) is 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is Cc1c(OCC(F)(F)F)ccnc1CS(C)=O.
What is the InChIKey of 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is NACYETXENFMBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-7-8(5-17(2)15)14-4-3-9(7)16-6-10(11,12)13/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 267.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylsulfinylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 162700532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).