Ethyl nicotinate
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.115 g/mL (at 20 °C)
- Melting point
- 8.5 °C
- Boiling point
- 224 °C
- logP
- 1.26Crippen estimate
- Polar surface area
- 39.2 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
614-18-6SMILES
CCOC(=O)c1cccnc1InChIKey
XBLVHTDFJBKJLG-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 3-Pyridinecarboxylic acid, ethyl ester
- Nicotinic acid, ethyl ester
- Nikithan
- Ba 2673
- 3-Carbethoxypyridine
- Ethyl 3-pyridinecarboxylate
- β-Pyridinecarboxylic acid ethyl ester
- 3-(Ethoxycarbonyl)pyridine
- Ignicut
- Ignocut
- Mucotherm
- Nicaethan
- Nikethan
- NSC 8872
- Ethyl pyridine-3-oate
Work with Ethyl 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
Butyl nicotinate6938-06-368 % similar
Hexyl nicotinate23597-82-265 % similar
Ethyl isonicotinate1570-45-265 % similar
Ethyl benzoate93-89-064 % similar
Benzyl nicotinate94-44-063 % similar
Methyl nicotinate93-60-763 % similar
1,3-Diethyl 1,3-benzenedicarboxylate636-53-362 % similar
5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-559 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds