Basic information
- Standard SMILES
Cc1ncc(N2C(=O)c3ccccc3C2=O)cc1Br- InChIKey
BEOWQYKGNBXLKN-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O2
- Average molar mass
- 317.14 g/mol
- Monoisotopic mass
- 315.98474
Names & identifiers
- Preferred name
- 2-(5-Bromo-6-methylpyridin-3-yl)isoindoline-1,3-dione
- IUPAC
- 2-(5-bromo-6-methyl-3-pyridinyl)isoindole-1,3-dione
Names & synonyms
2-(5-bromo-6-methylpyridin-3-yl)isoindoline-1,3-dione1620056-30-5SCHEMBL15875322BEOWQYKGNBXLKN-UHFFFAOYSA-NCS-01469142-(5-bromo-6-methyl-3-pyridyl)isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 90281352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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