Ethyl 2-(3-methylpyridin-4-yl)butanoate
Basic information
- CAS
79757-11-2- Standard SMILES
CCOC(=O)C(CC)c1ccncc1C- InChIKey
KTHKRYZDPSKKCU-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Ethyl 2-(3-methylpyridin-4-yl)butanoate
- IUPAC
- ethyl 2-(3-methyl-4-pyridinyl)butanoate
Names & synonyms
79757-11-2ethyl 2-(3-methylpyridin-4-yl)butanoateNSC351302DTXSID20319843AKOS015622533NSC-351302
Database identifiers
- CAS
79757-11-2- PubChem CID
- 336549
- DTXSID
DTXSID20319843
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
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Related reactions
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Compound notes
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