3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine

C8H7ClF3NS — CID 126480955

IUPAC3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine
SMILESCCSc1ccnc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3NS/c1-2-14-5-3-4-13-7(6(5)9)8(10,11)12/h3-4H,2H2,1H3
InChIKeyYOQPRUONWNABLY-UHFFFAOYSA-N
MW241.66 g/mol
LogP3.87
Rot. Bonds2

About 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine

3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine (PubChem CID 126480955) has the molecular formula C8H7ClF3NS and a molecular weight of 241.66 g/mol. Its IUPAC name is 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine
PubChem CID126480955
Molecular FormulaC8H7ClF3NS
Molecular Weight241.66 g/mol
Exact Mass240.99
IUPAC Name3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine
SMILESCCSc1ccnc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H7ClF3NS/c1-2-14-5-3-4-13-7(6(5)9)8(10,11)12/h3-4H,2H2,1H3
InChIKeyYOQPRUONWNABLY-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine (CID 126480955) is 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine is CCSc1ccnc(C(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine?
The InChIKey is YOQPRUONWNABLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NS/c1-2-14-5-3-4-13-7(6(5)9)8(10,11)12/h3-4H,2H2,1H3.
What are the key properties of 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine?
3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine has a molecular weight of 241.66 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 126480955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).