3-chloro-2-(trifluoromethylsulfanyl)pyridine

C6H3ClF3NS — CID 75406416

IUPAC3-chloro-2-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1ncccc1Cl
InChIInChI=1S/C6H3ClF3NS/c7-4-2-1-3-11-5(4)12-6(8,9)10/h1-3H
InChIKeyTUWIYLHVMCCYMX-UHFFFAOYSA-N
MW213.61 g/mol
LogP3.35
Rot. Bonds1

About 3-chloro-2-(trifluoromethylsulfanyl)pyridine

3-chloro-2-(trifluoromethylsulfanyl)pyridine (PubChem CID 75406416) has the molecular formula C6H3ClF3NS and a molecular weight of 213.61 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethylsulfanyl)pyridine
PubChem CID75406416
Molecular FormulaC6H3ClF3NS
Molecular Weight213.61 g/mol
Exact Mass212.96
IUPAC Name3-chloro-2-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1ncccc1Cl
InChIInChI=1S/C6H3ClF3NS/c7-4-2-1-3-11-5(4)12-6(8,9)10/h1-3H
InChIKeyTUWIYLHVMCCYMX-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 3-chloro-2-(trifluoromethylsulfanyl)pyridine (CID 75406416) is 3-chloro-2-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 3-chloro-2-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 3-chloro-2-(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-(trifluoromethylsulfanyl)pyridine?
The InChIKey is TUWIYLHVMCCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NS/c7-4-2-1-3-11-5(4)12-6(8,9)10/h1-3H.
What are the key properties of 3-chloro-2-(trifluoromethylsulfanyl)pyridine?
3-chloro-2-(trifluoromethylsulfanyl)pyridine has a molecular weight of 213.61 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 75406416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).