Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
Basic information
- CAS
98996-29-3- Standard SMILES
CCOC(=O)c1ccn(C)c(=O)c1- InChIKey
INXGWUMBWHECGK-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
- IUPAC
- ethyl 1-methyl-2-oxopyridine-4-carboxylate
- English name
- 1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate98996-29-3MFCD19686396ethyl 1-methyl-2-oxopyridine-4-carboxylate1-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID ETHYL ESTERNSC210894-Pyridinecarboxylicacid, 1,2-dihydro-1-methyl-2-oxo-, ethyl esterSCHEMBL6219930DTXSID80281279YDA99629NSC-21089AT19294
Show more names
1-methyl-2-oxy-1,2-dihydropyridine-4-carboxylic acidethyl ester4-Pyridinecarboxylic acid, 1,2-dihydro-1-Methyl-2-oxo-, ethyl ester
SB53935BS-49939SY189877CS-0187756ethyl 1-methyl-2-oxo-pyridine-4-carboxylateEN300-81887F626687Ethyl 1-methyl-2-oxo-12-dihydropyridine-4-carboxylate
Database identifiers
- CAS
98996-29-3- PubChem CID
- 228288
- DTXSID
DTXSID80281279
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 319.2 · 319.2±35.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.35 · -1.35±0.62(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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