Basic information
- CAS
22701-39-9- Standard SMILES
CCOC(=O)c1cc(CC)cnc1C- InChIKey
FPSIITQRJVXVIY-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 5-Ethyl-2-methyl-nicotinic acid ethyl ester
- IUPAC
- ethyl 5-ethyl-2-methylpyridine-3-carboxylate
Names & synonyms
22701-39-95-Ethyl-2-methyl-nicotinic acid ethyl esterEthyl 5-ethyl-2-methylpyridine-3-carboxylateEthyl 5-ethyl-2-methylnicotinate3-Pyridinecarboxylic acid, 5-ethyl-2-methyl-, ethyl esterMFCD19981436SCHEMBL9370802DTXSID90560249FPSIITQRJVXVIY-UHFFFAOYSA-Nethyl 5-ethyl-2-methyl-pyridine-3-carboxylateF317315
Database identifiers
- CAS
22701-39-9- PubChem CID
- 14436626
- DTXSID
DTXSID90560249
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
3 records
Compound notes
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