3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine

C12H9F3N2S — CID 114072745

IUPAC3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1nc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2S/c1-18-10-5-3-2-4-9(10)16-12-8(14)6-7(13)11(15)17-12/h2-6H,1H3,(H,16,17)
InChIKeyOMCZPAALIBBQBB-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.96
Rot. Bonds3

About 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine

3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine (PubChem CID 114072745) has the molecular formula C12H9F3N2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
PubChem CID114072745
Molecular FormulaC12H9F3N2S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1nc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2S/c1-18-10-5-3-2-4-9(10)16-12-8(14)6-7(13)11(15)17-12/h2-6H,1H3,(H,16,17)
InChIKeyOMCZPAALIBBQBB-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine 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 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine (CID 114072745) is 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine is CSc1ccccc1Nc1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The InChIKey is OMCZPAALIBBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2S/c1-18-10-5-3-2-4-9(10)16-12-8(14)6-7(13)11(15)17-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine?
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine has a molecular weight of 270.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine is sourced from PubChem (CID 114072745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).