3-Bromo-1,6-dimethylpyridin-2(1H)-one
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Basic information
- CAS
889865-53-6- Standard SMILES
Cc1ccc(Br)c(=O)n1C- InChIKey
SUTSWKNXVOAVMZ-UHFFFAOYSA-N- Molecular formula
- C7H8BrNO
- Average molar mass
- 202.05 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-1,6-dimethylpyridin-2(1H)-one
- IUPAC
- 3-bromo-1,6-dimethylpyridin-2-one
- English name
- 3-Bromo-1,6-dimethyl-1H-pyridin-2-one
- Molecular formula
- C7H8BrNO
- Molecular weight
- 202.05
Names & synonyms
3-Bromo-1,6-dimethylpyridin-2(1H)-one889865-53-63-Bromo-1,6-dimethyl-1H-pyridin-2-oneMFCD22688542SCHEMBL2114603SUTSWKNXVOAVMZ-UHFFFAOYSA-N3-Bromo-1,6-dimethyl-2(1h)-pyridinoneDB-2041842(1H)-Pyridinone, 3-bromo-1,6-dimethyl-
Database identifiers
- CAS
889865-53-6- PubChem CID
- 67281150
- EC Number
- 190-887-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 292.3 · 292.3±33.0 °C(Predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- pka
- -2.25 · -2.25±0.62(Predicted)
Related reactions
1 records
Compound notes
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