2-bromo-6-(methylsulfanyloxymethyl)pyridine

C7H8BrNOS — CID 89441575

IUPAC2-bromo-6-(methylsulfanyloxymethyl)pyridine
SMILESCSOCc1cccc(Br)n1
InChIInChI=1S/C7H8BrNOS/c1-11-10-5-6-3-2-4-7(8)9-6/h2-4H,5H2,1H3
InChIKeyXFWCGSRVCWUBRN-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-6-(methylsulfanyloxymethyl)pyridine

2-bromo-6-(methylsulfanyloxymethyl)pyridine (PubChem CID 89441575) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-bromo-6-(methylsulfanyloxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(methylsulfanyloxymethyl)pyridine
PubChem CID89441575
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name2-bromo-6-(methylsulfanyloxymethyl)pyridine
SMILESCSOCc1cccc(Br)n1
InChIInChI=1S/C7H8BrNOS/c1-11-10-5-6-3-2-4-7(8)9-6/h2-4H,5H2,1H3
InChIKeyXFWCGSRVCWUBRN-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(methylsulfanyloxymethyl)pyridine?
The IUPAC name of 2-bromo-6-(methylsulfanyloxymethyl)pyridine (CID 89441575) is 2-bromo-6-(methylsulfanyloxymethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(methylsulfanyloxymethyl)pyridine?
The canonical SMILES for 2-bromo-6-(methylsulfanyloxymethyl)pyridine is CSOCc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(methylsulfanyloxymethyl)pyridine?
The InChIKey is XFWCGSRVCWUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-11-10-5-6-3-2-4-7(8)9-6/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-6-(methylsulfanyloxymethyl)pyridine?
2-bromo-6-(methylsulfanyloxymethyl)pyridine has a molecular weight of 234.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(methylsulfanyloxymethyl)pyridine is sourced from PubChem (CID 89441575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).