Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccncc1)C(=O)OCC- InChIKey
OCZLLKTXONXXKS-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- Diethyl 2-[2-(4-pyridyl)ethyl]malonate
- IUPAC
- diethyl 2-(2-pyridin-4-ylethyl)propanedioate
Names & synonyms
diethyl 2-[2-(4-pyridyl)ethyl]malonatediethyl 2-(2-pyridin-4-ylethyl)propanedioate92501-98-9Tirofiban Impurity 36SCHEMBL6646153OCZLLKTXONXXKS-UHFFFAOYSA-NAKOS005215979diethyl 2-(pyridin-4-yl)ethylmalonatediethyl beta-(4-pyridyl)-ethylmalonateDiethyl 2-(2-(pyridin-4-yl)ethyl)malonate2-(4-pyridyl)ethylmalonic acid diethyl ester
Database identifiers
- PubChem CID
- 2801722
- Nikkaji
- J1.641.049G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
7 records
Compound notes
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