chempirical

Methyl 1H-indole-2-carboxylate

C10H9NO2CAS 1202-04-6175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
150–151.3 °C
logP
1.95Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1202-04-6
SMILES
COC(=O)c1cc2ccccc2[nH]1
InChIKey
NQPIEWBAWBFGOB-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole-2-carboxylic acid, methyl ester
  • Indole-2-carboxylic acid, methyl ester
  • Methyl 2-indolecarboxylate
  • 2-(Methoxycarbonyl)indole
  • NSC 78006

Work with Methyl 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

Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-259 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-558 % similar Indole-2-carboxylic acid1477-50-554 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid methyl ester1140512-58-850 % similar Methyl 2-naphthoate2459-25-850 % similar Methyl 2-pyrrolecarboxylate1193-62-049 % similar Dimethyl phthalate131-11-347 % similar Methyl 3-isoquinolinecarboxylate27104-73-046 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carboxaldehyde10601-19-1 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 4-Methyl-1H-indole-2-carboxylic acid18474-57-2 7-Methyl-1H-indole-2-carboxylic acid18474-60-7

Elsewhere

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