4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 7-chloro-4-oxo-, ethyl ester
Basic information
- CAS
50609-68-2- Standard SMILES
CCOC(=O)Cc1cnc2ccc(Cl)cn2c1=O- InChIKey
UGSTZPVMZHXYRW-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 7-chloro-4-oxo-, ethyl ester
- IUPAC
- ethyl 2-(7-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetate
- English name
- 7-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-acetic acid ethyl ester
- Molecular formula
- C12H11ClN2O3
- Molecular weight
- 266.68
Names & synonyms
7-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-acetic acid ethyl ester50609-68-27-CHLORO-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 7-chloro-4-oxo-, ethyl esterUGSTZPVMZHXYRW-UHFFFAOYSA-NDTXSID501346270DB-264067Q633952213-carboethoxymethyl-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-oneEthyl (7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetate #
Database identifiers
- CAS
50609-68-2- PubChem CID
- 606403
- DTXSID
DTXSID501346270- Nikkaji
- J45.145B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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