Basic information
- Standard SMILES
CCOC(=O)c1cc(C)c(C#N)c(OC)n1- InChIKey
PYXODQXFLFTQNB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-cyano-6-methoxy-4-methylpicolinate
- IUPAC
- ethyl 5-cyano-6-methoxy-4-methylpyridine-2-carboxylate
Names & synonyms
ethyl 5-cyano-6-methoxy-4-methylpicolinate1346576-27-9SCHEMBL2590850PYXODQXFLFTQNB-UHFFFAOYSA-Nethyl5-cyano-6-methoxy-4-methylpicolinateDB-416517Ethyl 5-cyano-6-methoxy-4-methyl-2-pyridinecarboxylateethyl 5-cyano-6-methoxy-4-methylpyridine-2-carboxylate
Database identifiers
- PubChem CID
- 67466404
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
24 records
Compound notes
Loading…