5,6-dibromo-3-hydroxy-1H-pyridin-2-one

C5H3Br2NO2 — CID 90076176

IUPAC5,6-dibromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(Br)cc1O
InChIInChI=1S/C5H3Br2NO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10)
InChIKeyTYEMGMHVGUBFRD-UHFFFAOYSA-N
MW268.89 g/mol
LogP1.61
Rot. Bonds

About 5,6-dibromo-3-hydroxy-1H-pyridin-2-one

5,6-dibromo-3-hydroxy-1H-pyridin-2-one (PubChem CID 90076176) has the molecular formula C5H3Br2NO2 and a molecular weight of 268.89 g/mol. Its IUPAC name is 5,6-dibromo-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dibromo-3-hydroxy-1H-pyridin-2-one
PubChem CID90076176
Molecular FormulaC5H3Br2NO2
Molecular Weight268.89 g/mol
Exact Mass266.85
IUPAC Name5,6-dibromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Br)c(Br)cc1O
InChIInChI=1S/C5H3Br2NO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10)
InChIKeyTYEMGMHVGUBFRD-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.89
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dibromo-3-hydroxy-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5,6-dibromo-3-hydroxy-1H-pyridin-2-one (CID 90076176) is 5,6-dibromo-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dibromo-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5,6-dibromo-3-hydroxy-1H-pyridin-2-one is O=c1[nH]c(Br)c(Br)cc1O.
What is the InChIKey of 5,6-dibromo-3-hydroxy-1H-pyridin-2-one?
The InChIKey is TYEMGMHVGUBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10).
What are the key properties of 5,6-dibromo-3-hydroxy-1H-pyridin-2-one?
5,6-dibromo-3-hydroxy-1H-pyridin-2-one has a molecular weight of 268.89 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 90076176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).