chempirical

Methyl nicotinate

C7H7NO2CAS 93-60-7137.14 g/mol

Open in Covalent MOL file
OON
Ester

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

Identifiers

CAS number
93-60-7
SMILES
COC(=O)c1cccnc1
InChIKey
YNBADRVTZLEFNH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

Weigh 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

Inositol nicotinate6556-11-264 % similar Ethyl nicotinate614-18-663 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-361 % similar Phenyl 3-pyridinecarboxylate3468-53-960 % similar Methyl benzoate93-58-360 % similar Dimethyl isophthalate1459-93-458 % similar Methyl β-oxo-3-pyridinepropanoate54950-20-858 % similar Butyl nicotinate6938-06-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 Methyl picolinate2459-07-6 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9

Elsewhere

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