2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine

C12H7ClF3NS — CID 132608405

IUPAC2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine
SMILESFC(F)(F)Sc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C12H7ClF3NS/c13-8-4-5-9(10-3-1-2-6-17-10)11(7-8)18-12(14,15)16/h1-7H
InChIKeyWFARHDIVCWPLFY-UHFFFAOYSA-N
MW289.71 g/mol
LogP5.01
Rot. Bonds2

About 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine

2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine (PubChem CID 132608405) has the molecular formula C12H7ClF3NS and a molecular weight of 289.71 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine
PubChem CID132608405
Molecular FormulaC12H7ClF3NS
Molecular Weight289.71 g/mol
Exact Mass288.99
IUPAC Name2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine
SMILESFC(F)(F)Sc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C12H7ClF3NS/c13-8-4-5-9(10-3-1-2-6-17-10)11(7-8)18-12(14,15)16/h1-7H
InChIKeyWFARHDIVCWPLFY-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.71
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine?
The IUPAC name of 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine (CID 132608405) is 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine is FC(F)(F)Sc1cc(Cl)ccc1-c1ccccn1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine?
The InChIKey is WFARHDIVCWPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NS/c13-8-4-5-9(10-3-1-2-6-17-10)11(7-8)18-12(14,15)16/h1-7H.
What are the key properties of 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine?
2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine has a molecular weight of 289.71 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethylsulfanyl)phenyl]pyridine is sourced from PubChem (CID 132608405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).