3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

C13H12F3NO2S2 — CID 57111742

IUPAC3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1c(OCC(F)(F)F)ccnc1CSc1cccs1
InChIInChI=1S/C13H12F3NO2S2/c1-18-12-9(7-21-11-3-2-6-20-11)17-5-4-10(12)19-8-13(14,15)16/h2-6H,7-8H2,1H3
InChIKeyWQTMPBBMOFPLIF-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.39
Rot. Bonds6

About 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 57111742) has the molecular formula C13H12F3NO2S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID57111742
Molecular FormulaC13H12F3NO2S2
Molecular Weight335.37 g/mol
Exact Mass335.03
IUPAC Name3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1c(OCC(F)(F)F)ccnc1CSc1cccs1
InChIInChI=1S/C13H12F3NO2S2/c1-18-12-9(7-21-11-3-2-6-20-11)17-5-4-10(12)19-8-13(14,15)16/h2-6H,7-8H2,1H3
InChIKeyWQTMPBBMOFPLIF-UHFFFAOYSA-N
XLogP4.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-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

Related Compounds

4,5-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56666339
3,4-Dimethoxy-2-(methylsulfanylmethyl)pyridine
CID 56679900
2-Ethyl-4-[(2-methyl-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 75385040
(2-Methoxyethyl)[(4-methoxypyridin-2-yl)methyl](3-thienylmethyl)amine
CID 91834045
3-Methoxy-2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)pyridine
CID 20142800
3-Methoxy-2-methyl-4-(1,1,2,3,3-pentafluoropropoxy)pyridine
CID 20142803
3-Methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 22923742
4-Methoxy-2-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
CID 57086015
2-[[3-(Difluoromethoxy)-4-pyridinyl]oxy]-4-methyl-6-[5-(trifluoromethyl)thiophen-2-yl]oxypyridine
CID 67660236
1,1,1-trifluoro-N-(3-thiophen-2-yloxy-4-pyridinyl)methanesulfonamide
CID 69020668
2-Methyl-5-(2-thiophen-3-ylethoxy)-4-(trifluoromethyl)pyridine
CID 117865971
2-Tert-butyl-5-(2-thiophen-3-ylethoxy)-4-(trifluoromethyl)pyridine
CID 121384472

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (CID 57111742) is 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is COc1c(OCC(F)(F)F)ccnc1CSc1cccs1.
What is the InChIKey of 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is WQTMPBBMOFPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2S2/c1-18-12-9(7-21-11-3-2-6-20-11)17-5-4-10(12)19-8-13(14,15)16/h2-6H,7-8H2,1H3.
What are the key properties of 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 335.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(thiophen-2-ylsulfanylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 57111742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).