5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine

C9H10Cl3NOS — CID 70884153

IUPAC5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine
SMILESCC(c1ccc(C(Cl)(Cl)Cl)nc1)S(C)=O
InChIInChI=1S/C9H10Cl3NOS/c1-6(15(2)14)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyWFKHWELGGIEOFH-UHFFFAOYSA-N
MW286.61 g/mol
LogP3.35
Rot. Bonds2

About 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine

5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine (PubChem CID 70884153) has the molecular formula C9H10Cl3NOS and a molecular weight of 286.61 g/mol. Its IUPAC name is 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine.

Molecular Properties

Compound Name5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine
PubChem CID70884153
Molecular FormulaC9H10Cl3NOS
Molecular Weight286.61 g/mol
Exact Mass284.95
IUPAC Name5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine
SMILESCC(c1ccc(C(Cl)(Cl)Cl)nc1)S(C)=O
InChIInChI=1S/C9H10Cl3NOS/c1-6(15(2)14)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyWFKHWELGGIEOFH-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine?
The IUPAC name of 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine (CID 70884153) is 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine.
What is the SMILES notation for 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine?
The canonical SMILES for 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine is CC(c1ccc(C(Cl)(Cl)Cl)nc1)S(C)=O.
What is the InChIKey of 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine?
The InChIKey is WFKHWELGGIEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NOS/c1-6(15(2)14)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3.
What are the key properties of 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine?
5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine has a molecular weight of 286.61 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfinylethyl)-2-(trichloromethyl)pyridine is sourced from PubChem (CID 70884153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).