3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine

C13H7Cl3F3NS — CID 2744944

IUPAC3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SCc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F3NS/c14-9-2-1-3-10(15)8(9)6-21-12-11(16)4-7(5-20-12)13(17,18)19/h1-5H,6H2
InChIKeyXYJIHCYZJYVIPF-UHFFFAOYSA-N
MW372.63 g/mol
LogP6.35
Rot. Bonds3

About 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine (PubChem CID 2744944) has the molecular formula C13H7Cl3F3NS and a molecular weight of 372.63 g/mol. Its IUPAC name is 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
PubChem CID2744944
Molecular FormulaC13H7Cl3F3NS
Molecular Weight372.63 g/mol
Exact Mass370.93
IUPAC Name3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(SCc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F3NS/c14-9-2-1-3-10(15)8(9)6-21-12-11(16)4-7(5-20-12)13(17,18)19/h1-5H,6H2
InChIKeyXYJIHCYZJYVIPF-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine (CID 2744944) is 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(SCc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine?
The InChIKey is XYJIHCYZJYVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NS/c14-9-2-1-3-10(15)8(9)6-21-12-11(16)4-7(5-20-12)13(17,18)19/h1-5H,6H2.
What are the key properties of 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine has a molecular weight of 372.63 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2744944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).