Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate
Basic information
- CAS
89937-77-9- Standard SMILES
COC(=O)c1cc[nH]c(=O)c1- InChIKey
DATHOCDTDDUESC-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259308
Names & identifiers
- Preferred name
- Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate
- IUPAC
- methyl 2-oxo-1H-pyridine-4-carboxylate
- English name
- Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
89937-77-9methyl 1,2-dihydro-2-oxopyridine-4-carboxylatemethyl 2-oxo-1,2-dihydropyridine-4-carboxylateMethyl 2-hydroxypyridine-4-carboxylatemethyl 2-oxo-1H-pyridine-4-carboxylateMFCD09258780METHYL 2-HYDROXY-4-PYRIDINECARBOXYLATEmethyl 2-oxo-1,2-dihydro-4-pyridinecarboxylatemethyl 2-hydroxyisonicotinatemethyl 2-hydroxyisonNSC1328872-Hydroxyisonicotinic acid methyl ester
Show more names
NSC 1328874-Methoxycarbonyl-2-pyridoneMethyl 2-hydroxypyridine-...1,2-dihydro-2-oxopyridine-4-carboxylate
4-PYRIDINECARBOXYLIC ACID, 1,2-DIHYDRO-2-OXO-, METHYL ESTERmethyl-2-hydroxyisonicotinateSCHEMBL200699SCHEMBL2054082-Oxo-1,2-dihydropyridine-4-carboxylic acid methyl esterDTXSID60299796DATHOCDTDDUESC-UHFFFAOYSA-NAKOS006346508
Database identifiers
- CAS
89937-77-9- PubChem CID
- 280755
- DTXSID
DTXSID60299796- EC Number
- 879-803-0
- Nikkaji
- J496.407A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 211 · 211-212 °C
- Boiling point
- 342.4 · 342.4±42.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 11.02 · 11.02±0.10(Predicted)
- color
- White to off-white
- InChI
- InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h2-4H,1H3,(H,8,9)
- InChIKey
- DATHOCDTDDUESC-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=CC(C(OC)=O)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- RIDADR
- 2811 · UN2811
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
- ridadr
- UN2811
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 1,2-dihydro-2-oxopyridine-4-carboxylate is an ester derivative, mainly used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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