2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione

C15H11BrN2O2 — CID 103430551

IUPAC2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ncccc1Br)C2=O
InChIInChI=1S/C15H11BrN2O2/c1-8-5-6-9(2)12-11(8)14(19)18(15(12)20)13-10(16)4-3-7-17-13/h3-7H,1-2H3
InChIKeyRPLOBVFFWYMNFC-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.26
Rot. Bonds1

About 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione

2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430551) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430551
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(c1ncccc1Br)C2=O
InChIInChI=1S/C15H11BrN2O2/c1-8-5-6-9(2)12-11(8)14(19)18(15(12)20)13-10(16)4-3-7-17-13/h3-7H,1-2H3
InChIKeyRPLOBVFFWYMNFC-UHFFFAOYSA-N
XLogP3.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
2-(5-amino-3-methyl-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione
CID 103429584
2-(2-bromo-4-methylphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430503
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
3-(3-bromo-2-pyridinyl)-1H-imidazol-2-one
CID 103124108
2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430565
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione (CID 103430551) is 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(c1ncccc1Br)C2=O.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is RPLOBVFFWYMNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-8-5-6-9(2)12-11(8)14(19)18(15(12)20)13-10(16)4-3-7-17-13/h3-7H,1-2H3.
What are the key properties of 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione?
2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 331.17 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).