Methyl 6-methoxynicotinate

C8H9NO3CAS 26218-80-4167.16 g/mol

Open in Covalent MOL file
OOON
EsterEther

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
48–49 °C
Boiling point
93 °C (at 3 Torr)
logP
0.88Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26218-80-4
SMILES
COC(=O)c1ccc(OC)nc1
InChIKey
OVLDWZNVBDRZNN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
  • Nicotinic acid, 6-methoxy-, methyl ester
  • 6-Methoxynicotinic acid methyl ester
  • Methyl 6-methoxypyridine-3-carboxylate
  • Methyl 2-methoxypyridine-5-carboxylate

Work with Methyl 6-methoxynicotinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl pyridine-2,5-dicarboxylate881-86-765 % similar 5-Acetyl-2-methoxypyridine213193-32-963 % similar Methyl 6-methylnicotinate5470-70-263 % similar 6-Fluoronicotinic acid methyl ester1427-06-161 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-061 % similar Methyl 6-aminonicotinate36052-24-161 % similar 6-Methoxynicotinic acid66572-55-261 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook