Basic information
- Standard SMILES
O=Cc1ncc(N2C(=O)c3ccccc3C2=O)cc1Br- InChIKey
MPEFJCFMKVKHKF-UHFFFAOYSA-N- Molecular formula
- C14H7BrN2O3
- Average molar mass
- 331.12 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-(1,3-dioxoisoindolin-2-yl)picolinaldehyde
- IUPAC
- 3-bromo-5-(1,3-dioxoisoindol-2-yl)pyridine-2-carbaldehyde
Names & synonyms
SCHEMBL15875189MPEFJCFMKVKHKF-UHFFFAOYSA-N3-bromo-5-(1,3-dioxoisoindolin-2-yl)picolinaldehyde
Database identifiers
- PubChem CID
- 90281229
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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