chempirical

4-Methyl-1H-indole-2-carboxylic acid

C10H9NO2CAS 18474-57-2175.19 g/mol

Open in Covalent MOL file
HNOHO
Carboxylic acid

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
2.17Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
18474-57-2
SMILES
Cc1cccc2[nH]c(C(=O)O)cc12
InChIKey
QMSCXKCJGFIXDF-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole-2-carboxylic acid, 4-methyl-
  • Indole-2-carboxylic acid, 4-methyl-
  • 4-Methylindole-2-carboxylic acid

Work with 4-Methyl-1H-indole-2-carboxylic acid

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

4-Fluoro-1H-indole-2-carboxylic acid399-68-864 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-763 % similar Kynurenic acid492-27-357 % similar Indole-2-carboxylic acid1477-50-555 % similar 2,6-Dimethylbenzoic acid632-46-250 % similar 4,6-Dichloro-1H-indole-2-carboxylic acid101861-63-649 % similar 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-549 % similar 2-Chloro-6-methylbenzoic acid21327-86-648 % 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 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9 7-Methyl-1H-indole-2-carboxylic acid18474-60-7

Elsewhere

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