1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one

C10H9BrINO2 — CID 168703521

IUPAC1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(I)cc1Br
InChIInChI=1S/C10H9BrINO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeySURDWJPXUOORKB-UHFFFAOYSA-N
MW382.00 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one

1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703521) has the molecular formula C10H9BrINO2 and a molecular weight of 382.00 g/mol. Its IUPAC name is 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703521
Molecular FormulaC10H9BrINO2
Molecular Weight382.00 g/mol
Exact Mass380.89
IUPAC Name1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1ccc(I)cc1Br
InChIInChI=1S/C10H9BrINO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2
InChIKeySURDWJPXUOORKB-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.00
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-tert-butylphenyl)-4-hydroxypyrrolidin-2-one
CID 168701831
S-[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706785
[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682704
1-(2-bromo-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715621
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480
4-(azidomethyl)-1-(2-bromo-4-iodophenyl)pyrrolidin-2-one
CID 168657954
1-(5-chloro-2-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703303
3-bromo-5-(4-hydroxy-2-oxopyrrolidin-1-yl)-1H-pyridin-4-one
CID 168703997
2-bromo-6-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703891
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-bromo-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 107801564
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one (CID 168703521) is 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1ccc(I)cc1Br.
What is the InChIKey of 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is SURDWJPXUOORKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINO2/c11-8-3-6(12)1-2-9(8)13-5-7(14)4-10(13)15/h1-3,7,14H,4-5H2.
What are the key properties of 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one?
1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 382.00 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-iodophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).