2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C11H11F3N2OS — CID 16957373

IUPAC2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOCCSc1nc(C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H11F3N2OS/c1-7-5-9(11(12,13)14)8(6-15)10(16-7)18-4-3-17-2/h5H,3-4H2,1-2H3
InChIKeyUAMOLZMTRRDLEP-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 16957373) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID16957373
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCOCCSc1nc(C)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C11H11F3N2OS/c1-7-5-9(11(12,13)14)8(6-15)10(16-7)18-4-3-17-2/h5H,3-4H2,1-2H3
InChIKeyUAMOLZMTRRDLEP-UHFFFAOYSA-N
XLogP3.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile 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 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 16957373) is 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is COCCSc1nc(C)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UAMOLZMTRRDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-7-5-9(11(12,13)14)8(6-15)10(16-7)18-4-3-17-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 276.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 16957373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).