Basic information
- Standard SMILES
CCOC(=O)c1cnccc1C- InChIKey
ZDXGKCWPISPQIQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Ethyl 4-methylnicotinate
- IUPAC
- ethyl 4-methylpyridine-3-carboxylate
Names & synonyms
ethyl 4-methylnicotinate55314-29-9ethyl 4-methylpyridine-3-carboxylateMFCD10699557ETHYL4-METHYLNICOTINATEethyl-4-methylnicotinoateSCHEMBL907851CHEMBL489496SCHEMBL29570949ZDXGKCWPISPQIQ-UHFFFAOYSA-NAKOS006305594AB62589
Show more names
AS-58277SY043057DB-119214DB-334231CS-0138074EN300-2042104-methyl-pyridine-3-carboxylic acid ethyl esterF449302
Database identifiers
- PubChem CID
- 409602
- ChEMBL
CHEMBL489496- Nikkaji
- J1.643.622D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
3 records
Compound notes
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