2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine

C8H10ClNO2S2 — CID 63778851

IUPAC2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine
SMILESCS(=O)(=O)CCSc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNO2S2/c1-14(11,12)5-4-13-7-2-3-10-8(9)6-7/h2-3,6H,4-5H2,1H3
InChIKeyQLFBUGALKKCSGN-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.87
Rot. Bonds4

About 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine

2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine (PubChem CID 63778851) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine
PubChem CID63778851
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine
SMILESCS(=O)(=O)CCSc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNO2S2/c1-14(11,12)5-4-13-7-2-3-10-8(9)6-7/h2-3,6H,4-5H2,1H3
InChIKeyQLFBUGALKKCSGN-UHFFFAOYSA-N
XLogP1.87
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine?
The IUPAC name of 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine (CID 63778851) is 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine?
The canonical SMILES for 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine is CS(=O)(=O)CCSc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine?
The InChIKey is QLFBUGALKKCSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c1-14(11,12)5-4-13-7-2-3-10-8(9)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine?
2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine has a molecular weight of 251.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylsulfonylethylsulfanyl)pyridine is sourced from PubChem (CID 63778851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).