2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine

C12H6Cl2F3NS — CID 102716297

IUPAC2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Sc2ccccc2Cl)c1
InChIInChI=1S/C12H6Cl2F3NS/c13-8-3-1-2-4-9(8)19-11-6-7(12(15,16)17)5-10(14)18-11/h1-6H
InChIKeyLOOLTQQQLMWMMY-UHFFFAOYSA-N
MW324.15 g/mol
LogP5.56
Rot. Bonds2

About 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine

2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine (PubChem CID 102716297) has the molecular formula C12H6Cl2F3NS and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
PubChem CID102716297
Molecular FormulaC12H6Cl2F3NS
Molecular Weight324.15 g/mol
Exact Mass322.96
IUPAC Name2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(Sc2ccccc2Cl)c1
InChIInChI=1S/C12H6Cl2F3NS/c13-8-3-1-2-4-9(8)19-11-6-7(12(15,16)17)5-10(14)18-11/h1-6H
InChIKeyLOOLTQQQLMWMMY-UHFFFAOYSA-N
XLogP5.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.15
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)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

2-chloro-6-thiophen-2-ylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716286
2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716296
2-tert-butyl-4-chloro-6-(2-chlorophenyl)sulfanylpyrimidine
CID 80951182
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720269
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617
2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine
CID 102716369
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 57365418
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine (CID 102716297) is 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(Sc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine?
The InChIKey is LOOLTQQQLMWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3NS/c13-8-3-1-2-4-9(8)19-11-6-7(12(15,16)17)5-10(14)18-11/h1-6H.
What are the key properties of 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine?
2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine has a molecular weight of 324.15 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).