Ethyl pyrrole-2-carboxylate

C₇H₉NO₂CAS 2199-43-1139.15 g/mol

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Properties

Molecular formula: C₇H₉NO₂
Molar mass: 139.15 g/mol
Exact mass: 139.0633 Da
logP: 1.19Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 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

2199-43-1

SMILES

CCOC(=O)C1=CC=CN1

InChIKey

PAEYAKGINDQUCT-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3

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Names and synonyms

1 names

Ethyl 1H-pyrrole-2-carboxylate

Reactions

ETHYL PYRROLE-2-CARBOXYLATE (1H-Pyrrole-2-carboxylic acid, ethyl ester)product

Work with Ethyl pyrrole-2-carboxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-pyrrolecarboxylate1193-62-061 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-657 % similar Diethyl phthalate84-66-255 % similar Ethyl imidazole-4-carboxylate23785-21-954 % similar Ethyl 5-methylpyrrole-2-carboxylate3284-51-354 % similar Ethyl 1H-pyrazole-3-carboxylate5932-27-454 % similar Diethyl terephthalate636-09-953 % similar Ethyl benzoate93-89-053 % similar

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

Same formula

2-Methoxy-3-pyridinemethanol112197-16-7 2,6-Pyridinedimethanol1195-59-1 4-Pyridinemethanol,2-methoxy-(9ci)123148-66-3 (5-Methoxypyridin-2-yl)methanol127978-70-5 Ethyl 1-cyanocyclopropanecarboxylate1558-81-2 5-Amino-2-methoxyphenol1687-53-2 Ammonium benzoate1863-63-4 (1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-2

Elsewhere

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