Structure Info
- Chemspace ID
- CSMB00021147039 (Enamine MADE)
- MFCD
- MFCD31550843, MFCD30011734
- IUPAC Name
- 5-bromo-6-tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- Mol formula
- C10H11BrN2O
- Mol weight
- 255 Da
- Catalog Number(s)
- BBV-101144475, BBV-95996084, CSC021147039, CSC021388141, FCH7099291, FCH7323866, Y1457075, ZXC378145
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.97
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021147039
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