5-Methylindole-2-carboxylic acid

C10H9NO2CAS 10241-97-1175.19 g/mol

Open in Covalent MOL file
NHOOH
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 7 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
10241-97-1
SMILES
CC1=CC2=C(C=C1)NC(=C2)C(=O)O
InChIKey
DAITVOCMWPNFTL-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)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

1 names
  • 5-Methyl-1H-indole-2-carboxylic acid

Work with 5-Methylindole-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

Indole-2,5-dicarboxylic acid117140-77-967 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-165 % similar 5-Chloro-1H-indole-2-carboxylic acid10517-21-263 % similar 5-Amino-1H-indole-2-carboxylic acid152213-40-663 % similar 5-Fluoroindole-2-carboxylic acid399-76-863 % similar 5-Bromo-1H-indole-2-carboxylic acid7254-19-563 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-163 % similar Indole-2-carboxylic acid1477-50-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl indole-5-carboxylate1011-65-0 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 1-Acetyl-3-indolinone16800-68-3

Elsewhere

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