Methyl 2-methylnicotinate 1-oxide

HCID 20163965

Basic information

Standard SMILES
COC(=O)c1ccc[n+]([O-])c1C
InChIKey
YKLAQTMNDXRXIR-UHFFFAOYSA-N
Molecular formula
C8H9NO3
Average molar mass
167.16 g/mol
Monoisotopic mass
167.05824315

Names & identifiers

Preferred name
Methyl 2-methylnicotinate 1-oxide
IUPAC
methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate

Names & synonyms

SCHEMBL1247973SCHEMBL31536078methyl 2-methylnicotinate 1-oxideYKLAQTMNDXRXIR-UHFFFAOYSA-NDB-1929633-(Methoxycarbonyl)-2-methylpyridine 1-oxide3-(methoxycarbonyl)-2-methylpyridine-1-oxideMethyl 2-methylpyridine-3-carboxylate 1-oxide2-Methyl-3-pyridinecarboxylic acid methyl ester, 1-oxide1033809-42-5

Database identifiers

PubChem CID
20163965

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Related reactions

9 records

Linked notes

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