4-bromo-3-hydroxy-1H-pyridin-2-one

C5H4BrNO2 — CID 90076352

IUPAC4-bromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1O
InChIInChI=1S/C5H4BrNO2/c6-3-1-2-7-5(9)4(3)8/h1-2,8H,(H,7,9)
InChIKeyUQECALXAHAJQAU-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.84
Rot. Bonds

About 4-bromo-3-hydroxy-1H-pyridin-2-one

4-bromo-3-hydroxy-1H-pyridin-2-one (PubChem CID 90076352) has the molecular formula C5H4BrNO2 and a molecular weight of 190.00 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-hydroxy-1H-pyridin-2-one
PubChem CID90076352
Molecular FormulaC5H4BrNO2
Molecular Weight190.00 g/mol
Exact Mass188.94
IUPAC Name4-bromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1O
InChIInChI=1S/C5H4BrNO2/c6-3-1-2-7-5(9)4(3)8/h1-2,8H,(H,7,9)
InChIKeyUQECALXAHAJQAU-UHFFFAOYSA-N
XLogP0.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-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

Related Compounds

2,3-Dihydroxypyridine
CID 28115
5-Bromopyridine-2,3-diol
CID 12563083
3,4-Dihydroxypyridin-2(1H)-one
CID 54707960
3-Bromo-4-hydroxypyridin-2(1h)-one
CID 54715668
2,3-Dihydroxypyridine hydrochloride
CID 57468247
4-Fluoro-3-hydroxy-1,2-dihydropyridin-2-one
CID 54037580
3-hydroxy-1H-pyridin-2-one;iron(3+)
CID 18688763
5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
CID 19844403
zinc 3-hydroxy-1H-pyridin-2-one
CID 19870745
4-Chloropyridine-2,3-diol
CID 20162051
3-hydroxy-1H-pyridin-2-one;hydrate
CID 22154707
CID 22290054
CID 22290054

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-hydroxy-1H-pyridin-2-one (CID 90076352) is 4-bromo-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-hydroxy-1H-pyridin-2-one is O=c1[nH]ccc(Br)c1O.
What is the InChIKey of 4-bromo-3-hydroxy-1H-pyridin-2-one?
The InChIKey is UQECALXAHAJQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2/c6-3-1-2-7-5(9)4(3)8/h1-2,8H,(H,7,9).
What are the key properties of 4-bromo-3-hydroxy-1H-pyridin-2-one?
4-bromo-3-hydroxy-1H-pyridin-2-one has a molecular weight of 190.00 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 90076352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).