chempirical

Ethyl 5-chloro-1H-indole-2-carboxylate

C11H10ClNO2CAS 4792-67-0223.66 g/mol

Open in Covalent MOL file
OOClNH
Aryl halideEster

Properties

Molecular formula
C11H10ClNO2
Molar mass
223.66 g/mol
Exact mass
223.0400 Da
Melting point
167–168 °C
logP
3.00Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
4792-67-0
SMILES
CCOC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIKey
LWKIFKYHCJAIAB-UHFFFAOYSA-N
InChI
InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Indole-2-carboxylic acid, 5-chloro-, ethyl ester
  • Indole-2-carboxylic acid, 5-chloro-, ethyl ester
  • Ethyl 5-chloroindole-2-carboxylate
  • 5-Chloroindole-2-carboxylic acid ethyl ester
  • 5-Chloro-2-ethoxycarbonylindole
  • 5-Chloro-1H-indole-2-carboxylic acid ethyl ester
  • NSC 94209

Work with Ethyl 5-chloro-1H-indole-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-fluoroindole-2-carboxylate348-36-772 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-168 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-967 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-461 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-861 % similar Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-759 % similar Ethyl 6-bromoindole-2-carboxylate103858-53-357 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-255 % similar

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

Elsewhere

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