1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one

C9H9BrN2O2 — CID 168703965

IUPAC1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccnc1Br
InChIInChI=1S/C9H9BrN2O2/c10-9-7(2-1-3-11-9)12-5-6(13)4-8(12)14/h1-3,6,13H,4-5H2
InChIKeyJRHSBJDHSRRRPB-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.94
Rot. Bonds1

About 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one

1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703965) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703965
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cccnc1Br
InChIInChI=1S/C9H9BrN2O2/c10-9-7(2-1-3-11-9)12-5-6(13)4-8(12)14/h1-3,6,13H,4-5H2
InChIKeyJRHSBJDHSRRRPB-UHFFFAOYSA-N
XLogP0.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386
3-(4-hydroxy-2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 168703966
4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168703552
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
4-hydroxy-1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168703715
4-hydroxy-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168702268
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one (CID 168703965) is 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cccnc1Br.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is JRHSBJDHSRRRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-9-7(2-1-3-11-9)12-5-6(13)4-8(12)14/h1-3,6,13H,4-5H2.
What are the key properties of 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one?
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 257.09 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).