3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one

C5H5BrN2O2S — CID 126518741

IUPAC3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one
SMILESNOSc1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O2S/c6-3-1-4(11-10-7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyJULOPGIRMVSVMY-UHFFFAOYSA-N
MW237.08 g/mol
LogP1.03
Rot. Bonds2

About 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one

3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one (PubChem CID 126518741) has the molecular formula C5H5BrN2O2S and a molecular weight of 237.08 g/mol. Its IUPAC name is 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one
PubChem CID126518741
Molecular FormulaC5H5BrN2O2S
Molecular Weight237.08 g/mol
Exact Mass235.93
IUPAC Name3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one
SMILESNOSc1cc(Br)c[nH]c1=O
InChIInChI=1S/C5H5BrN2O2S/c6-3-1-4(11-10-7)5(9)8-2-3/h1-2H,7H2,(H,8,9)
InChIKeyJULOPGIRMVSVMY-UHFFFAOYSA-N
XLogP1.03
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', '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 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one?
The IUPAC name of 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one (CID 126518741) is 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one.
What is the SMILES notation for 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one?
The canonical SMILES for 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one is NOSc1cc(Br)c[nH]c1=O.
What is the InChIKey of 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one?
The InChIKey is JULOPGIRMVSVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2S/c6-3-1-4(11-10-7)5(9)8-2-3/h1-2H,7H2,(H,8,9).
What are the key properties of 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one?
3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one has a molecular weight of 237.08 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxysulfanyl-5-bromo-1H-pyridin-2-one is sourced from PubChem (CID 126518741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).