2-(4-Bromophenyl)-2-oxoethyl pyridine-4-carboxylate
Basic information
- CAS
305858-22-4- Standard SMILES
O=C(COC(=O)c1ccncc1)c1ccc(Br)cc1- InChIKey
PMZNDVLPUMUSFT-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl pyridine-4-carboxylate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] pyridine-4-carboxylate
Names & synonyms
2-(4-bromophenyl)-2-oxoethyl pyridine-4-carboxylate305858-22-42-(4-BROMOPHENYL)-2-OXOETHYL ISONICOTINATEMLS000712286[2-(4-bromophenyl)-2-oxoethyl] pyridine-4-carboxylateCHEMBL1523048DTXSID101320216HMS2673D10STL337594AKOS000734392SMR000282053ST060956
Show more names
AB00074773-01AG-205/07930022
Database identifiers
- CAS
305858-22-4- PubChem CID
- 787382
- DTXSID
DTXSID101320216- ChEMBL
CHEMBL1523048
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility44 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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