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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Fluoroindole-2-carboxylic acid399-68-864 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-763 % similar 7-Methyl-1H-indole-2-carboxylic acid18474-60-760 % similar 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-757 % similar Kynurenic acid492-27-357 % similar Indole-2-carboxylic acid1477-50-555 % similar 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid186446-26-452 % similar 2,6-Dimethylbenzoic acid632-46-250 % 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-carbaldehyde10601-19-1 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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