Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate

HCID 579028

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Basic information

CAS: 10128-91-3
Standard SMILES: COC(=O)c1ccc[nH]c1=O
InChIKey: SILBTMNCGYLTOK-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-3-carboxylate
IUPAC: methyl 2-oxo-1H-pyridine-3-carboxylate
English name: Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

methyl 2-oxo-1,2-dihydropyridine-3-carboxylateRefChem:814572692-281-7methyl 2-hydroxynicotinate10128-91-3Methyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate67383-31-7methyl 2-hydroxypyridine-3-carboxylatemethyl 2-oxo-1H-pyridine-3-carboxylateMFCD00661282MFCD082750552-Hydroxy-nicotinic acid methyl ester

Show more names

SPECS AE-508/36398048Methyl2-hydroxynicotinate,97%Methyl 6-hydroxypyridin-3-carboxylate1,2-Dihydro-3-(methoxycarbonyl)-2-oxopyridineMethyl 2-oxo-l,2-dihydropyridine-3-carboxylateMethyl 1,2-dihydro-2-oxopyridine-3-carboxylateMETHYL 2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLATE ISO 9001：2015 REACH

2-hydroxynicotinic acid methyl ester3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl esterSCHEMBL107721DTXSID40906037AKOS005070599AKOS006241744CS-W007840AB44640

Database identifiers

CAS: 10128-91-3
PubChem CID: 579028
DTXSID: DTXSID40906037
EC Number: 692-281-7
Nikkaji: J496.406C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 252

Physicochemical properties

Melting point: 115 · 115-118°C
Boiling point: 367.6 · 367.6±42.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.07 · 10.07±0.10(Predicted)
form: Solid
color: Cream
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesMethyl 2-oxo-1,2-dihydro-3-pyridinecarboxylate is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.