3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione

C16H13BrN2O2 — CID 3066587

IUPAC3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(c3cccc(Br)c3)C2=O)nc1
InChIInChI=1S/C16H13BrN2O2/c1-10-5-6-14(18-9-10)19-15(20)8-13(16(19)21)11-3-2-4-12(17)7-11/h2-7,9,13H,8H2,1H3
InChIKeyPMLWHUMXZOEFRE-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.20
Rot. Bonds2

About 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione

3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 3066587) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID3066587
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(c3cccc(Br)c3)C2=O)nc1
InChIInChI=1S/C16H13BrN2O2/c1-10-5-6-14(18-9-10)19-15(20)8-13(16(19)21)11-3-2-4-12(17)7-11/h2-7,9,13H,8H2,1H3
InChIKeyPMLWHUMXZOEFRE-UHFFFAOYSA-N
XLogP3.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione (CID 3066587) is 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(c3cccc(Br)c3)C2=O)nc1.
What is the InChIKey of 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is PMLWHUMXZOEFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10-5-6-14(18-9-10)19-15(20)8-13(16(19)21)11-3-2-4-12(17)7-11/h2-7,9,13H,8H2,1H3.
What are the key properties of 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione?
3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 345.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(5-methyl-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3066587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).