chempirical

Ethyl isonicotinate

C8H9NO2CAS 1570-45-2151.16 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Density
1.5009 g/mL (at 20 °C)
Melting point
23 °C
Boiling point
219.5 °C
logP
1.26Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1570-45-2
SMILES
CCOC(=O)c1ccncc1
InChIKey
MCRPKBUFXAKDKI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

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Names and synonyms

8 names
  • 4-Pyridinecarboxylic acid, ethyl ester
  • Isonicotinic acid, ethyl ester
  • 4-Carbethoxypyridine
  • Ethyl 4-pyridinecarboxylate
  • 4-Carboethoxypyridine
  • γ-Pyridinecarboxylic acid ethyl ester
  • 4-Ethoxycarbonylpyridine
  • NSC 6854

Work with Ethyl isonicotinate

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

Diethyl terephthalate636-09-974 % similar Ethyl benzoate93-89-067 % similar Ethyl nicotinate614-18-665 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-463 % similar Ethyl 4-methylbenzoate94-08-663 % similar Ethylparaben120-47-861 % similar Ethyl 4-ethoxybenzoate23676-09-761 % similar Ethyl 4-fluorobenzoate451-46-761 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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