3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one

C9H9BrN2O3 — CID 168703997

IUPAC3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one
SMILESO=C1CC(O)CN1c1c[nH]cc(Br)c1=O
InChIInChI=1S/C9H9BrN2O3/c10-6-2-11-3-7(9(6)15)12-4-5(13)1-8(12)14/h2-3,5,13H,1,4H2,(H,11,15)
InChIKeyGPAXWLFWFQAGRW-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.23
Rot. Bonds1

About 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one

3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one (PubChem CID 168703997) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one
PubChem CID168703997
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one
SMILESO=C1CC(O)CN1c1c[nH]cc(Br)c1=O
InChIInChI=1S/C9H9BrN2O3/c10-6-2-11-3-7(9(6)15)12-4-5(13)1-8(12)14/h2-3,5,13H,1,4H2,(H,11,15)
InChIKeyGPAXWLFWFQAGRW-UHFFFAOYSA-N
XLogP0.23
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-[[1-(5-bromo-4-oxo-1H-pyridin-3-yl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668914
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703521
2-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168702437
1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
CID 168701831
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168703552
3-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703162
1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703244
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
1-(2-bromo-6-methylphenyl)-4-hydroxypyrrolidin-2-one
CID 168702702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one (CID 168703997) is 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one is O=C1CC(O)CN1c1c[nH]cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one?
The InChIKey is GPAXWLFWFQAGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c10-6-2-11-3-7(9(6)15)12-4-5(13)1-8(12)14/h2-3,5,13H,1,4H2,(H,11,15).
What are the key properties of 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one?
3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one has a molecular weight of 273.09 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one is sourced from PubChem (CID 168703997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).