chempirical

Indole-6-carboxylic acid methyl ester

C10H9NO2CAS 50820-65-0175.19 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
78–79 °C
logP
1.95Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
50820-65-0
SMILES
COC(=O)c1ccc2cc[nH]c2c1
InChIKey
AYYOZKHMSABVRP-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3

Weigh it out

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Names and synonyms

4 names
  • 1H-Indole-6-carboxylic acid, methyl ester
  • Methyl 6-indolecarboxylate
  • Methyl 1H-indole-6-carboxylate
  • 6-Methoxycarbonylindole

Work with Indole-6-carboxylic acid methyl ester

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

2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-364 % similar Methyl 4-amino-6-indolecarboxylate121561-15-757 % similar Methyl 2-naphthoate2459-25-857 % similar 1H-Indole-6-carboxylic acid1670-82-255 % similar Dimethyl terephthalate120-61-653 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-153 % similar Dimethyl isophthalate1459-93-451 % similar Trimethyl trimellitate2459-10-151 % 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 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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