1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one

C10H8BrClN2O4 — CID 168703244

IUPAC1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClN2O4/c11-6-2-9(14(17)18)8(3-7(6)12)13-4-5(15)1-10(13)16/h2-3,5,15H,1,4H2
InChIKeyXUNKCIPVIILIJP-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.11
Rot. Bonds2

About 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one

1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one (PubChem CID 168703244) has the molecular formula C10H8BrClN2O4 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
PubChem CID168703244
Molecular FormulaC10H8BrClN2O4
Molecular Weight335.54 g/mol
Exact Mass333.94
IUPAC Name1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1cc(Cl)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8BrClN2O4/c11-6-2-9(14(17)18)8(3-7(6)12)13-4-5(15)1-10(13)16/h2-3,5,15H,1,4H2
InChIKeyXUNKCIPVIILIJP-UHFFFAOYSA-N
XLogP2.11
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715261
[1-(4-bromo-5-chloro-2-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676858
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866
1-(4-bromo-5-fluoro-2-nitrophenyl)-4-chloropyrrolidin-2-one
CID 168688998
1-(4-acetyl-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168701929
4-hydroxy-1-(4-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168702293
4-(bromomethyl)-1-(5-chloro-4-iodo-2-nitrophenyl)pyrrolidin-2-one
CID 168505350
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
[1-(5-chloro-4-iodo-2-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682347
1-(4-ethoxy-2-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168702047
S-[1-(5-chloro-4-iodo-2-nitrophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706427
methyl 1-(4-bromo-5-fluoro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694519

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one (CID 168703244) is 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1cc(Cl)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
The InChIKey is XUNKCIPVIILIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O4/c11-6-2-9(14(17)18)8(3-7(6)12)13-4-5(15)1-10(13)16/h2-3,5,15H,1,4H2.
What are the key properties of 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one?
1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one has a molecular weight of 335.54 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-nitrophenyl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).