2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine

C17H17ClF3NS — CID 145375519

IUPAC2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCCSc1cc(C(F)(F)F)c(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C17H17ClF3NS/c1-4-23-14-9-13(17(19,20)21)16(22-15(14)10(2)3)11-5-7-12(18)8-6-11/h5-10H,4H2,1-3H3
InChIKeyOIVSMBNOYHGNFS-UHFFFAOYSA-N
MW359.84 g/mol
LogP6.66
Rot. Bonds4

About 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine

2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 145375519) has the molecular formula C17H17ClF3NS and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine
PubChem CID145375519
Molecular FormulaC17H17ClF3NS
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC Name2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine
SMILESCCSc1cc(C(F)(F)F)c(-c2ccc(Cl)cc2)nc1C(C)C
InChIInChI=1S/C17H17ClF3NS/c1-4-23-14-9-13(17(19,20)21)16(22-15(14)10(2)3)11-5-7-12(18)8-6-11/h5-10H,4H2,1-3H3
InChIKeyOIVSMBNOYHGNFS-UHFFFAOYSA-N
XLogP6.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.84
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine (CID 145375519) is 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine is CCSc1cc(C(F)(F)F)c(-c2ccc(Cl)cc2)nc1C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine?
The InChIKey is OIVSMBNOYHGNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NS/c1-4-23-14-9-13(17(19,20)21)16(22-15(14)10(2)3)11-5-7-12(18)8-6-11/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine?
2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 359.84 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethylsulfanyl-6-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 145375519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).