1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine

C11H12BrNOS — CID 164656274

IUPAC1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine
SMILESO=S(c1ccccc1)N1CCC=C(Br)C1
InChIInChI=1S/C11H12BrNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,5-7H,4,8-9H2
InChIKeyWLEMYESQALFWKG-UHFFFAOYSA-N
MW286.19 g/mol
LogP2.69
Rot. Bonds2

About 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine

1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine (PubChem CID 164656274) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine
PubChem CID164656274
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine
SMILESO=S(c1ccccc1)N1CCC=C(Br)C1
InChIInChI=1S/C11H12BrNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,5-7H,4,8-9H2
InChIKeyWLEMYESQALFWKG-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine (CID 164656274) is 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine is O=S(c1ccccc1)N1CCC=C(Br)C1.
What is the InChIKey of 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine?
The InChIKey is WLEMYESQALFWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c12-10-5-4-8-13(9-10)15(14)11-6-2-1-3-7-11/h1-3,5-7H,4,8-9H2.
What are the key properties of 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine?
1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine has a molecular weight of 286.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-5-bromo-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 164656274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).