Ethyl 4-Nitropyrrole-2-carboxylate

C7H8N2O4CAS 5930-92-7184.15 g/mol

Open in Covalent MOL file
OOHNN+OO−
EsterNitro

Properties

Molecular formula
C7H8N2O4
Molar mass
184.15 g/mol
Exact mass
184.0484 Da
logP
1.10Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P264+P265, P280, P305+P354+P338, P317, P370+P378

Identifiers

CAS number
5930-92-7
SMILES
CCOC(=O)C1=CC(=CN1)[N+](=O)[O-]
InChIKey
PEORWHVRWXGKMS-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O4/c1-2-13-7(10)6-3-5(4-8-6)9(11)12/h3-4,8H,2H2,1H3

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Names and synonyms

1 names
  • 4-Nitropyrrole-2-carboxylic acid ethyl ester

Work with Ethyl 4-Nitropyrrole-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

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-162 % similar Ethyl 3,5-dinitrobenzoate618-71-362 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-359 % similar Ethyl 4-nitrobenzoate99-77-458 % similar Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-657 % similar Ethyl m-nitrobenzoate618-98-457 % similar Ethyl 4-formyl-1H-pyrrole-2-carboxylate7126-57-053 % similar Ethyl 2-chloro-5-nitrobenzoate16588-17-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethoxy-3-nitropyridine18677-41-3 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid20924-05-4 Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-8 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-9 Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-3 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-1

Elsewhere

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