Ethyl 2-pyridinecarboxylate

C8H9NO2CAS 2524-52-9151.16 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
1.5123 g/mL (at 20 °C)
Melting point
1 °C
Boiling point
243 °C
logP
1.26Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 135 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
2524-52-9
SMILES
CCOC(=O)c1ccccn1
InChIKey
FQYYIPZPELSLDK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3

Weigh it out

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Names and synonyms

8 names
  • 2-Pyridinecarboxylic acid, ethyl ester
  • Picolinic acid, ethyl ester
  • Ethyl picolinate
  • 2-(Ethoxycarbonyl)pyridine
  • Ethyl 2-picolinate
  • NSC 31651
  • NSC 959
  • Ethyl pyridine-2-carboxylate

Work with Ethyl 2-pyridinecarboxylate

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 2,6-pyridinedicarboxylate15658-60-367 % similar Ethyl pyrimidine-4-carboxylate62846-82-664 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-462 % similar Methyl picolinate2459-07-662 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-162 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-359 % similar Ethyl 6-chloropicolinate21190-89-658 % similar Diethyl phthalate84-66-258 % 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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