2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine

C8H7ClF3NS — CID 43446306

IUPAC2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1SCCCl
InChIInChI=1S/C8H7ClF3NS/c9-3-5-14-7-6(8(10,11)12)2-1-4-13-7/h1-2,4H,3,5H2
InChIKeyRJOIPZDNEUUWAR-UHFFFAOYSA-N
MW241.66 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine

2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine (PubChem CID 43446306) has the molecular formula C8H7ClF3NS and a molecular weight of 241.66 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine
PubChem CID43446306
Molecular FormulaC8H7ClF3NS
Molecular Weight241.66 g/mol
Exact Mass240.99
IUPAC Name2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1SCCCl
InChIInChI=1S/C8H7ClF3NS/c9-3-5-14-7-6(8(10,11)12)2-1-4-13-7/h1-2,4H,3,5H2
InChIKeyRJOIPZDNEUUWAR-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine (CID 43446306) is 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1SCCCl.
What is the InChIKey of 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine?
The InChIKey is RJOIPZDNEUUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NS/c9-3-5-14-7-6(8(10,11)12)2-1-4-13-7/h1-2,4H,3,5H2.
What are the key properties of 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine?
2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine has a molecular weight of 241.66 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 43446306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).