2,6-dichloro-4-(methylsulfanylmethyl)pyridine

C7H7Cl2NS — CID 73013096

IUPAC2,6-dichloro-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H7Cl2NS/c1-11-4-5-2-6(8)10-7(9)3-5/h2-3H,4H2,1H3
InChIKeyLUOZYXGTYGLLPU-UHFFFAOYSA-N
MW208.11 g/mol
LogP3.25
Rot. Bonds2

About 2,6-dichloro-4-(methylsulfanylmethyl)pyridine

2,6-dichloro-4-(methylsulfanylmethyl)pyridine (PubChem CID 73013096) has the molecular formula C7H7Cl2NS and a molecular weight of 208.11 g/mol. Its IUPAC name is 2,6-dichloro-4-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(methylsulfanylmethyl)pyridine
PubChem CID73013096
Molecular FormulaC7H7Cl2NS
Molecular Weight208.11 g/mol
Exact Mass206.97
IUPAC Name2,6-dichloro-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C7H7Cl2NS/c1-11-4-5-2-6(8)10-7(9)3-5/h2-3H,4H2,1H3
InChIKeyLUOZYXGTYGLLPU-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,6-dichloro-4-(methylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(methylsulfanylmethyl)pyridine (CID 73013096) is 2,6-dichloro-4-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(methylsulfanylmethyl)pyridine is CSCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(methylsulfanylmethyl)pyridine?
The InChIKey is LUOZYXGTYGLLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NS/c1-11-4-5-2-6(8)10-7(9)3-5/h2-3H,4H2,1H3.
What are the key properties of 2,6-dichloro-4-(methylsulfanylmethyl)pyridine?
2,6-dichloro-4-(methylsulfanylmethyl)pyridine has a molecular weight of 208.11 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 73013096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).