Methyl nicotinate
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Melting point
- 42.5 °C
- Boiling point
- 204 °C
- logP
- 0.87Crippen estimate
- Polar surface area
- 39.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation98.6% of notifiers
- H319 Causes serious eye irritation99.1% of notifiers
Aggregated from 1,623 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
93-60-7SMILES
COC(=O)c1cccnc1InChIKey
YNBADRVTZLEFNH-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 3-Pyridinecarboxylic acid, methyl ester
- Nicotinic acid, methyl ester
- Nicometh
- 3-(Carbomethoxy)pyridine
- Methyl 3-pyridinecarboxylate
- 3-(Methoxycarbonyl)pyridine
- m-(Methoxycarbonyl)pyridine
- NSC 13126
- NSC 403799
Work with Methyl nicotinate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Nicotinic anhydride16837-38-070 % similar
Inositol nicotinate6556-11-264 % similar
Methyl pyrimidine-5-carboxylate34253-01-563 % similar
Ethyl nicotinate614-18-663 % similar
Dimethyl 3,5-pyridinedicarboxylate4591-55-361 % similar
Methyl pyridazine-4-carboxylate34231-77-161 % similar
Phenyl 3-pyridinecarboxylate3468-53-960 % similar
Methyl benzoate93-58-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.