Basic information
- CAS
1193334-89-2- Standard SMILES
COC(=O)C(C)Cn1ccc(Br)cc1=O- InChIKey
HRVXQEQVYRMHAV-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO3
- Average molar mass
- 274.11 g/mol
- Monoisotopic mass
- 273.00006
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-oxo-2H-pyridin-1-yl)-2-methyl-propionic acid methyl ester
- IUPAC
- methyl 3-(4-bromo-2-oxo-1-pyridinyl)-2-methylpropanoate
Names & synonyms
1193334-89-2SCHEMBL589926HRVXQEQVYRMHAV-UHFFFAOYSA-NDTXSID101210542methyl 3-(4-bromo-2-oxopyridin-1(2h)-yl)-2-methylpropanoate3-(4-Bromo-2-oxo-2H-pyridin-1-yl)-2-methyl-propionic acid methyl esterMethyl 4-bromo-I+/--methyl-2-oxo-1(2H)-pyridinepropanoate
Database identifiers
- CAS
1193334-89-2- PubChem CID
- 59635795
- DTXSID
DTXSID101210542
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Related reactions
15 records
Compound notes
Loading…