2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine

C13H8Cl2F3NS — CID 102716369

IUPAC2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(SCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Cl2F3NS/c14-10-3-1-8(2-4-10)7-20-12-6-9(13(16,17)18)5-11(15)19-12/h1-6H,7H2
InChIKeyNLJFNLFCMRUDDF-UHFFFAOYSA-N
MW338.18 g/mol
LogP5.70
Rot. Bonds3

About 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine

2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine (PubChem CID 102716369) has the molecular formula C13H8Cl2F3NS and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine
PubChem CID102716369
Molecular FormulaC13H8Cl2F3NS
Molecular Weight338.18 g/mol
Exact Mass336.97
IUPAC Name2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)nc(SCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8Cl2F3NS/c14-10-3-1-8(2-4-10)7-20-12-6-9(13(16,17)18)5-11(15)19-12/h1-6H,7H2
InChIKeyNLJFNLFCMRUDDF-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.18
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 57365418
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
2-chloro-6-(4-propan-2-ylphenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716296
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]pyridine
CID 29048275
3-chloro-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 45030918
2-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
CID 114793059
2-chloro-6-(2-chlorophenyl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716297
2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 17160002
2-chloro-6-thiophen-2-ylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716286
2-(4-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 55443484
6-[(4-chlorophenyl)methylsulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 114793040

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine (CID 102716369) is 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)nc(SCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine?
The InChIKey is NLJFNLFCMRUDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NS/c14-10-3-1-8(2-4-10)7-20-12-6-9(13(16,17)18)5-11(15)19-12/h1-6H,7H2.
What are the key properties of 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine?
2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine has a molecular weight of 338.18 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).