Diethyl (2-pyridylmethyl)malonate
Basic information
- CAS
3243-01-4- Standard SMILES
CCOC(=O)C(Cc1ccccn1)C(=O)OCC- InChIKey
CHNRGKPWYUVJEW-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- Diethyl (2-pyridylmethyl)malonate
- IUPAC
- diethyl 2-(pyridin-2-ylmethyl)propanedioate
- English name
- diethyl (2-pyridylmethyl)malonate
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.27838
Names & synonyms
Diethyl (2-pyridylmethyl)malonate3243-01-4diethyl 2-(pyridin-2-ylmethyl)propanedioateDiethyl 2-(pyridin-2-ylmethyl)malonateDiethyl 2-(2-pyridinylmethyl)malonateRYK7829A3CSCHEMBL5860064CHEMBL4997584DTXSID00186176CHNRGKPWYUVJEW-UHFFFAOYSA-NEINECS 221-813-9AKOS014923984
Show more names
(2-Pyridinylmethyl)propanedioic acid diethyl ester
Diethyl [(pyridin-2-yl)methyl]propanedioateNS000464241,3-Diethyl 2-(2-pyridinylmethyl)propanedioate1,3-DIETHYL 2-(PYRIDIN-2-YLMETHYL)PROPANEDIOATEPropanedioic acid, 2-(2-pyridinylmethyl)-, 1,3-diethyl ester
Database identifiers
- CAS
3243-01-4- PubChem CID
- 76729
- DTXSID
DTXSID00186176- ChEMBL
CHEMBL4997584- UNII
- RYK7829A3C
- EC Number
- 221-813-9
- Nikkaji
- J262.349H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
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Related reactions
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Compound notes
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