Basic information
- Standard SMILES
CCc1cc(C(=O)O)cn(C)c1=O- InChIKey
ZGECEPWDLKQSCH-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 5-Ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 5-ethyl-1-methyl-6-oxopyridine-3-carboxylic acid
Names & synonyms
5-ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid144152-23-85-ethyl-1-methyl-6-oxopyridine-3-carboxylic acidSCHEMBL3163591UFA15223AKOS026728710AT19290EN300-140447Z12625437925-ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylicacid
Database identifiers
- PubChem CID
- 21762553
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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