2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C12H7F3N2S2 — CID 689130

IUPAC2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H7F3N2S2/c1-18-11-7(6-16)8(12(13,14)15)5-9(17-11)10-3-2-4-19-10/h2-5H,1H3
InChIKeyHETLUNBJOGPUSE-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.42
Rot. Bonds2

About 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 689130) has the molecular formula C12H7F3N2S2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID689130
Molecular FormulaC12H7F3N2S2
Molecular Weight300.33 g/mol
Exact Mass300.00
IUPAC Name2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C12H7F3N2S2/c1-18-11-7(6-16)8(12(13,14)15)5-9(17-11)10-3-2-4-19-10/h2-5H,1H3
InChIKeyHETLUNBJOGPUSE-UHFFFAOYSA-N
XLogP4.42
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-6-thiophen-2-yl-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-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 689130) is 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is HETLUNBJOGPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2S2/c1-18-11-7(6-16)8(12(13,14)15)5-9(17-11)10-3-2-4-19-10/h2-5H,1H3.
What are the key properties of 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 300.33 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 689130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).