N-(5-bromo-3-cyanopyridin-2-yl)acetamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
941604-21-3- Standard SMILES
CC(=O)Nc1ncc(Br)cc1C#N- InChIKey
DZILEUCQDLGHBE-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3O
- Average molar mass
- 240.06 g/mol
- Monoisotopic mass
- 238.96942
Names & identifiers
- Preferred name
- N-(5-bromo-3-cyanopyridin-2-yl)acetamide
- IUPAC
- N-(5-bromo-3-cyano-2-pyridinyl)acetamide
- English name
- N-(5-bromo-3-cyanopyridin-2-yl)acetamide
- Molecular formula
- C8H6BrN3O
- Molecular weight
- 240.06
Names & synonyms
N-(5-bromo-3-cyanopyridin-2-yl)acetamide941604-21-3SCHEMBL4099333DTXSID80727804DZILEUCQDLGHBE-UHFFFAOYSA-NDB-320442N-(5-Bromo-3-cyano-pyridin-2-yl)-acetamideAcetamide, N-(5-bromo-3-cyano-2-pyridinyl)-
Database identifiers
- CAS
941604-21-3- PubChem CID
- 57742089
- DTXSID
DTXSID80727804
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 414.1 · 414.1±45.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.84 · 11.84±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…