5-bromo-3-(hydroxyamino)-1H-pyridin-2-one

C5H5BrN2O2 — CID 143873714

IUPAC5-bromo-3-(hydroxyamino)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1NO
InChIInChI=1S/C5H5BrN2O2/c6-3-1-4(8-10)5(9)7-2-3/h1-2,8,10H,(H,7,9)
InChIKeyKSXSLQROLHIVJU-UHFFFAOYSA-N
MW205.01 g/mol
LogP0.94
Rot. Bonds1

About 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one

5-bromo-3-(hydroxyamino)-1H-pyridin-2-one (PubChem CID 143873714) has the molecular formula C5H5BrN2O2 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(hydroxyamino)-1H-pyridin-2-one
PubChem CID143873714
Molecular FormulaC5H5BrN2O2
Molecular Weight205.01 g/mol
Exact Mass203.95
IUPAC Name5-bromo-3-(hydroxyamino)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1NO
InChIInChI=1S/C5H5BrN2O2/c6-3-1-4(8-10)5(9)7-2-3/h1-2,8,10H,(H,7,9)
InChIKeyKSXSLQROLHIVJU-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one (CID 143873714) is 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1NO.
What is the InChIKey of 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one?
The InChIKey is KSXSLQROLHIVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2/c6-3-1-4(8-10)5(9)7-2-3/h1-2,8,10H,(H,7,9).
What are the key properties of 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one?
5-bromo-3-(hydroxyamino)-1H-pyridin-2-one has a molecular weight of 205.01 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(hydroxyamino)-1H-pyridin-2-one is sourced from PubChem (CID 143873714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).