5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione

C13H6Br2N2O2 — CID 4577389

IUPAC5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccnc(Br)c1
InChIInChI=1S/C13H6Br2N2O2/c14-7-1-2-9-10(5-7)13(19)17(12(9)18)8-3-4-16-11(15)6-8/h1-6H
InChIKeyKRPVKESGVBQJTQ-UHFFFAOYSA-N
MW382.01 g/mol
LogP3.41
Rot. Bonds1

About 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione

5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione (PubChem CID 4577389) has the molecular formula C13H6Br2N2O2 and a molecular weight of 382.01 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
PubChem CID4577389
Molecular FormulaC13H6Br2N2O2
Molecular Weight382.01 g/mol
Exact Mass379.88
IUPAC Name5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Br)cc2C(=O)N1c1ccnc(Br)c1
InChIInChI=1S/C13H6Br2N2O2/c14-7-1-2-9-10(5-7)13(19)17(12(9)18)8-3-4-16-11(15)6-8/h1-6H
InChIKeyKRPVKESGVBQJTQ-UHFFFAOYSA-N
XLogP3.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.01
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione with MolForge

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Related Compounds

5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
CID 64782042
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
CID 690729
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
CID 7550711
5-bromo-2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
CID 1205605
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
2-[2-(bromomethyl)-4-pyridinyl]isoindole-1,3-dione
CID 66524362
2-(3-bromophenyl)-5-methylisoindole-1,3-dione
CID 43236211
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 174756197
2,4-dibromopyridine;hydrochloride
CID 87218885
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
CID 43345931
5-bromo-2-[(pyridin-2-ylamino)methyl]isoindole-1,3-dione
CID 534222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione (CID 4577389) is 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione is O=C1c2ccc(Br)cc2C(=O)N1c1ccnc(Br)c1.
What is the InChIKey of 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione?
The InChIKey is KRPVKESGVBQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2N2O2/c14-7-1-2-9-10(5-7)13(19)17(12(9)18)8-3-4-16-11(15)6-8/h1-6H.
What are the key properties of 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione?
5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione has a molecular weight of 382.01 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 4577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).