2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine

C10H14BrNO4S — CID 166918581

IUPAC2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine
SMILESCOC(C)COc1cc(Br)nc(S(C)(=O)=O)c1
InChIInChI=1S/C10H14BrNO4S/c1-7(15-2)6-16-8-4-9(11)12-10(5-8)17(3,13)14/h4-5,7H,6H2,1-3H3
InChIKeyRQSYAOVZASZTIO-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.66
Rot. Bonds5

About 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine

2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine (PubChem CID 166918581) has the molecular formula C10H14BrNO4S and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine
PubChem CID166918581
Molecular FormulaC10H14BrNO4S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine
SMILESCOC(C)COc1cc(Br)nc(S(C)(=O)=O)c1
InChIInChI=1S/C10H14BrNO4S/c1-7(15-2)6-16-8-4-9(11)12-10(5-8)17(3,13)14/h4-5,7H,6H2,1-3H3
InChIKeyRQSYAOVZASZTIO-UHFFFAOYSA-N
XLogP1.66
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine?
The IUPAC name of 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine (CID 166918581) is 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine.
What is the SMILES notation for 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine?
The canonical SMILES for 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine is COC(C)COc1cc(Br)nc(S(C)(=O)=O)c1.
What is the InChIKey of 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine?
The InChIKey is RQSYAOVZASZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO4S/c1-7(15-2)6-16-8-4-9(11)12-10(5-8)17(3,13)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine?
2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine has a molecular weight of 324.20 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxypropoxy)-6-methylsulfonylpyridine is sourced from PubChem (CID 166918581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).