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

C10H9NO2CAS 18474-60-7175.19 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acid

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
176 °C
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 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
18474-60-7
SMILES
Cc1cccc2cc(C(=O)O)[nH]c12
InChIKey
OLNYNTKNRVFVBI-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/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, 7-methyl-
  • Indole-2-carboxylic acid, 7-methyl-
  • 7-Methylindole-2-carboxylic acid

Work with 7-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

7-Chloro-1H-indole-2-carboxylic acid28899-75-468 % similar 7-Hydroxy-1H-indole-2-carboxylic acid84639-84-966 % similar 4-Methyl-1H-indole-2-carboxylic acid18474-57-260 % similar 7-Nitro-1H-indole-2-carboxylic acid6960-45-857 % similar Indole-2-carboxylic acid1477-50-555 % similar 2-Chloro-6-methylbenzoic acid21327-86-651 % similar 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-350 % 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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