5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione

C13H6BrClN2O2 — CID 793790

IUPAC5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H6BrClN2O2/c14-7-1-3-9-10(5-7)13(19)17(12(9)18)11-4-2-8(15)6-16-11/h1-6H
InChIKeyAMWMLQJJNWOBGT-UHFFFAOYSA-N
MW337.56 g/mol
LogP3.30
Rot. Bonds1

About 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione

5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione (PubChem CID 793790) has the molecular formula C13H6BrClN2O2 and a molecular weight of 337.56 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
PubChem CID793790
Molecular FormulaC13H6BrClN2O2
Molecular Weight337.56 g/mol
Exact Mass335.93
IUPAC Name5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H6BrClN2O2/c14-7-1-3-9-10(5-7)13(19)17(12(9)18)11-4-2-8(15)6-16-11/h1-6H
InChIKeyAMWMLQJJNWOBGT-UHFFFAOYSA-N
XLogP3.30
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione (CID 793790) is 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is AMWMLQJJNWOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClN2O2/c14-7-1-3-9-10(5-7)13(19)17(12(9)18)11-4-2-8(15)6-16-11/h1-6H.
What are the key properties of 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione?
5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 337.56 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 793790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).