4-Bromo-N-4-pyridinylbenzamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
14547-77-4- Standard SMILES
O=C(Nc1ccncc1)c1ccc(Br)cc1- InChIKey
HIIIJRGDYWZDCZ-UHFFFAOYSA-N- Molecular formula
- C12H9BrN2O
- Average molar mass
- 277.12 g/mol
- Monoisotopic mass
- 275.98983
Names & identifiers
- Preferred name
- 4-Bromo-N-4-pyridinylbenzamide
- IUPAC
- 4-bromo-N-pyridin-4-ylbenzamide
- English name
- 4-bromo-N-pyridin-4-ylbenzamide
- Molecular formula
- C12H9BrN2O
- Molecular weight
- 277.12
Names & synonyms
4-Bromo-N-4-pyridinylbenzamide14547-77-4RefChem:2910664-bromo-N-(pyridin-4-yl)benzamide4-bromo-N-pyridin-4-ylbenzamideCambridge id 5474030Oprea1_238308MLS001183381CHEMBL1496767DTXSID001305992HMS2827D14STK182185
Show more names
Benzamide, 4-bromo-N-4-pyridinyl-
AKOS000175689SMR000502534(4-bromophenyl)-N-(4-pyridyl)carboxamideST50171300AB00086282-01SR-01000397799SR-01000397799-1Z57070204
Database identifiers
- CAS
14547-77-4- PubChem CID
- 767341
- DTXSID
DTXSID001305992- ChEMBL
CHEMBL1496767
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Solubility>41.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 216 · 216-217 °C
- Boiling point
- 323.7 · 323.7±22.0 °C(Predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…