3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one

C10H8BrFN2O3 — CID 63788071

IUPAC3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8BrFN2O3/c11-7-3-4-13(10(7)15)9-2-1-6(14(16)17)5-8(9)12/h1-2,5,7H,3-4H2
InChIKeyPUDQRFSKNNDKHJ-UHFFFAOYSA-N
MW303.09 g/mol
LogP2.23
Rot. Bonds2

About 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one

3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one (PubChem CID 63788071) has the molecular formula C10H8BrFN2O3 and a molecular weight of 303.09 g/mol. Its IUPAC name is 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
PubChem CID63788071
Molecular FormulaC10H8BrFN2O3
Molecular Weight303.09 g/mol
Exact Mass301.97
IUPAC Name3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H8BrFN2O3/c11-7-3-4-13(10(7)15)9-2-1-6(14(16)17)5-8(9)12/h1-2,5,7H,3-4H2
InChIKeyPUDQRFSKNNDKHJ-UHFFFAOYSA-N
XLogP2.23
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.09
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168505729
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711
1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 3763781
1-(2-fluoro-4-nitrophenyl)pyridin-4-one
CID 86185931
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
ethane;1-(2-fluoro-4-nitrophenyl)piperidin-4-one
CID 170749636
1-(2-fluoro-4-nitrophenyl)-3,4-dihydro-2H-pyridine
CID 141075149
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
3-(dimethoxymethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidine
CID 176705419
1-(2-fluoro-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 91283730
2-(2-fluoro-4-nitrophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 47184706

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one (CID 63788071) is 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one is O=C1C(Br)CCN1c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is PUDQRFSKNNDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O3/c11-7-3-4-13(10(7)15)9-2-1-6(14(16)17)5-8(9)12/h1-2,5,7H,3-4H2.
What are the key properties of 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one?
3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 303.09 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 63788071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).