5-Bromo-6-dimethylamino-nicotinonitrile
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Basic information
- CAS
1782649-97-1- Standard SMILES
CN(C)c1ncc(C#N)cc1Br- InChIKey
ULRHIDQZZVQIAT-UHFFFAOYSA-N- Molecular formula
- C8H8BrN3
- Average molar mass
- 226.07 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-dimethylamino-nicotinonitrile
- IUPAC
- 5-bromo-6-(dimethylamino)pyridine-3-carbonitrile
- English name
- 5-Bromo-6-dimethylamino-nicotinonitrile
- Molecular formula
- C8H8BrN3
- Molecular weight
- 226.07
Names & synonyms
5-Bromo-6-dimethylamino-nicotinonitrile1782649-97-15-bromo-6-(dimethylamino)pyridine-3-carbonitrile5-Bromo-6-(dimethylamino)nicotinonitrileMFCD29067458G119063-Pyridinecarbonitrile, 5-bromo-6-(dimethylamino)-
Database identifiers
- CAS
1782649-97-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 340 · 340.0±42.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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