5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine

C9H12BrNO3S — CID 167744452

IUPAC5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine
SMILESCOCCS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNO3S/c1-14-4-5-15(12,13)7-9-3-2-8(10)6-11-9/h2-3,6H,4-5,7H2,1H3
InChIKeyYVGKVTYBSQOTKL-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.41
Rot. Bonds5

About 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine

5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine (PubChem CID 167744452) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine
PubChem CID167744452
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine
SMILESCOCCS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNO3S/c1-14-4-5-15(12,13)7-9-3-2-8(10)6-11-9/h2-3,6H,4-5,7H2,1H3
InChIKeyYVGKVTYBSQOTKL-UHFFFAOYSA-N
XLogP1.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine?
The IUPAC name of 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine (CID 167744452) is 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine is COCCS(=O)(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine?
The InChIKey is YVGKVTYBSQOTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-14-4-5-15(12,13)7-9-3-2-8(10)6-11-9/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine?
5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine has a molecular weight of 294.17 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethylsulfonylmethyl)pyridine is sourced from PubChem (CID 167744452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).