3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine

C8H7ClF3NS — CID 112776146

IUPAC3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7ClF3NS/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3
InChIKeyJYONYNQKCWEVLE-UHFFFAOYSA-N
MW241.66 g/mol
LogP3.87
Rot. Bonds2

About 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine

3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 112776146) has the molecular formula C8H7ClF3NS and a molecular weight of 241.66 g/mol. Its IUPAC name is 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
PubChem CID112776146
Molecular FormulaC8H7ClF3NS
Molecular Weight241.66 g/mol
Exact Mass240.99
IUPAC Name3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCCSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7ClF3NS/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3
InChIKeyJYONYNQKCWEVLE-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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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-2-ol
CID 86777244
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-propylbutan-1-amine
CID 62578664
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744944
3-chloro-2-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 1473940
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]hexan-1-amine
CID 63515474
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 2484296
N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propyl]-2-methylpropan-1-amine
CID 62578481
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-3-ethoxypropan-1-amine
CID 62578478
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanimidamide;hydrochloride
CID 138111368
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2484307

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine (CID 112776146) is 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine is CCSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is JYONYNQKCWEVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NS/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3.
What are the key properties of 3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine?
3-chloro-2-ethylsulfanyl-5-(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-2-ethylsulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 112776146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).