1,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
Basic information
- CAS
1082766-19-5- Standard SMILES
Cc1cc(C(=O)O)c(=O)n(C)c1C- InChIKey
DWIQEQKBANFFBQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 1,5,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
- IUPAC
- 1,5,6-trimethyl-2-oxopyridine-3-carboxylic acid
- English name
- 1,5,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid(SALTDATA: FREE)
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
1082766-19-51,5,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID1,5,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid1,5,6-trimethyl-2-oxopyridine-3-carboxylic acidMFCD11505293SCHEMBL2736526DTXSID50635088AKOS006323545BS-36863CS-0335459F3112991,5,6-trimethyl-2-oxo-pyridine-3-carboxylic acid
Show more names
3-Pyridinecarboxylic acid, 1,2-dihydro-1,5,6-trimethyl-2-oxo-1,5,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid(SALTDATA: FREE)
1,5,6-Trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylicacid
Database identifiers
- CAS
1082766-19-5- PubChem CID
- 23587777
- DTXSID
DTXSID50635088
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 363.2 · 363.2±35.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 2 · 2+-.0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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