Basic information
- CAS
851209-81-9- Standard SMILES
O=C(NCCCc1ccccc1)c1cncc(Br)c1- InChIKey
WRPPGZUVFVDLQB-UHFFFAOYSA-N- Molecular formula
- C15H15BrN2O
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.03678
Names & identifiers
- Preferred name
- 5-bromo-N-(3-phenylpropyl)pyridine-3-carboxamide
- IUPAC
- 5-bromo-N-(3-phenylpropyl)pyridine-3-carboxamide
Names & synonyms
5-bromo-N-(3-phenylpropyl)pyridine-3-carboxamideMLS001179960CHEMBL1543964DTXSID701330889HMS2871J05AKOS008913933851209-81-9SMR000589000Z26437291
Database identifiers
- CAS
851209-81-9- PubChem CID
- 2463751
- DTXSID
DTXSID701330889- ChEMBL
CHEMBL1543964
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Solubility47.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…