Ethyl 5-nitroindole-2-carboxylate

C11H10N2O4CAS 16732-57-3234.21 g/mol

Open in Covalent MOL file
OONHN+OO−
EsterNitro

Properties

Molecular formula
C11H10N2O4
Molar mass
234.21 g/mol
Exact mass
234.0641 Da
logP
2.25Crippen estimate
Polar surface area
85.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16732-57-3
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChIKey
DVFJMQCNICEPAI-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 5-nitro-1H-indole-2-carboxylate

Work with Ethyl 5-nitroindole-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

Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-363 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-061 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-161 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-761 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-061 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-960 % similar Ethyl 1H-indole-2-carboxylate3770-50-160 % similar 5-Nitroindole-2-carboxylic acid16730-20-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Acetoxy-7-methoxy-3H-quinazolin-4-one179688-53-0 Ethyl 7-nitroindole-2-carboxylate6960-46-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook