3-Bromo-1-ethyl-5-(pyrazin-2-yl)pyridin-2(1H)-one
Basic information
- CAS
89996-18-9- Standard SMILES
CCn1cc(-c2cnccn2)cc(Br)c1=O- InChIKey
RYDQAQRWEGDIHA-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O
- Average molar mass
- 280.12 g/mol
- Monoisotopic mass
- 279.00072
Names & identifiers
- Preferred name
- 3-Bromo-1-ethyl-5-(pyrazin-2-yl)pyridin-2(1H)-one
- IUPAC
- 3-bromo-1-ethyl-5-pyrazin-2-ylpyridin-2-one
Names & synonyms
89996-18-93-Bromo-1-ethyl-5-(pyrazin-2-yl)pyridin-2(1H)-oneSCHEMBL10842669DTXSID70545791RYDQAQRWEGDIHA-UHFFFAOYSA-N3-BROMO-1-ETHYL-5-(2-PYRAZINYL)-2-PYRIDONE
Database identifiers
- CAS
89996-18-9- PubChem CID
- 13645103
- DTXSID
DTXSID70545791
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
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Related reactions
3 records
Compound notes
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