Basic information
- CAS
1299607-68-3- Standard SMILES
Cc1[nH]c(=O)c(C(O)O)c(C)c1Br- InChIKey
ZZBHZQVNLLQBHW-UHFFFAOYSA-N- Molecular formula
- C8H10BrNO3
- Average molar mass
- 248.07 g/mol
- Monoisotopic mass
- 246.98441
Names & identifiers
- Preferred name
- (5-Bromo-2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanediol
- IUPAC
- 5-bromo-3-(dihydroxymethyl)-4,6-dimethyl-1H-pyridin-2-one
- English name
- (5-Bromo-2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanediol
- Molecular formula
- C8H10BrNO3
- Molecular weight
- 248.07
Names & synonyms
1299607-68-3(5-Bromo-2-hydroxy-4,6-dimethyl-pyridin-3-yl)-methanediol(5-bromo-2-hydroxy-4,6-dimethylpyridin-3-yl)methanediol5-bromo-3-(dihydroxymethyl)-4,6-dimethyl-1H-pyridin-2-oneDTXSID401187988AKOS0158338702(1H)-Pyridinone, 5-bromo-3-(dihydroxymethyl)-4,6-dimethyl-5-Bromo-3-(dihydroxymethyl)-4,6-dimethylpyridin-2(1H)-one
Database identifiers
- CAS
1299607-68-3- PubChem CID
- 56832310
- DTXSID
DTXSID401187988
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 423.7 · 423.7±45.0 °C(Predicted)
- Density
- 1.699 · 1.699±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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