Ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinate
Completing data — refresh the page later to see the latest
Basic information
- CAS
809272-94-4- Standard SMILES
CCOC(=O)c1cnc(C)c(O)c1CO- InChIKey
AJCFBWXUGRKHNO-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Names & identifiers
- Preferred name
- Ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinate
- IUPAC
- ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylicacid,5-hydroxy-4-(hydroxymethyl)-6-methyl-,ethylester(9CI)
- Molecular formula
- C10H13NO4
- Molecular weight
- 0
Names & synonyms
809272-94-4Ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylnicotinate3-pyridinecarboxylic acid,5-hydroxy-4-(hydroxymethyl)-6-methyl-,ethyl ester3-Pyridinecarboxylicacid,5-hydroxy-4-(hydroxymethyl)-6-methyl-,ethylester(9CI)
Database identifiers
- CAS
809272-94-4- PubChem CID
- 45097237
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…