5-Bromo-1-hydroxypyridin-2(1H)-one
Basic information
- CAS
874493-49-9- Standard SMILES
O=c1ccc(Br)cn1O- InChIKey
TYSIOVAYSVFULC-UHFFFAOYSA-N- Molecular formula
- C5H4BrNO2
- Average molar mass
- 189.99 g/mol
- Monoisotopic mass
- 188.94254
Names & identifiers
- Preferred name
- 5-Bromo-1-hydroxypyridin-2(1H)-one
- IUPAC
- 5-bromo-1-hydroxypyridin-2-one
- English name
- 5-Bromo-1-hydroxy-2(1H)-pyridinone
- Molecular formula
- C5H4BrNO2
- Molecular weight
- 189.99
Names & synonyms
874493-49-95-Bromo-1-hydroxypyridin-2(1H)-one5-Bromo-1-hydroxy-2(1H)-pyridinoneMFCD283613222(1H)-Pyridinone, 5-bromo-1-hydroxy-SCHEMBL2114660DTXSID701295998SY361054G91670
Database identifiers
- CAS
874493-49-9- PubChem CID
- 67281172
- DTXSID
DTXSID701295998
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 155 · 155-157 °C
- Boiling point
- 246.2 · 246.2±50.0 °C(Predicted)
- Density
- 2.112 · 2.112±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 5.16 · 5.16±0.58(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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