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

C10H9NO2CAS 16136-58-6175.19 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acid

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
214 °C
logP
1.88Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16136-58-6
SMILES
Cn1c(C(=O)O)cc2ccccc21
InChIKey
MAHAMBLNIDMREX-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole-2-carboxylic acid, 1-methyl-
  • Indole-2-carboxylic acid, 1-methyl-
  • 1-Methylindole-2-carboxylic acid
  • N-Methyl-2-indolecarboxylic acid
  • NSC 68357

Work with 1-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

1,2-Dimethylindole875-79-649 % similar 2,3-Naphthalenedicarboxylic acid2169-87-147 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-746 % similar 1-Methyl-2-phenylindole3558-24-546 % similar 1-Methyl-1H-pyrrole-2-carboxylic acid6973-60-046 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-644 % similar 1-Methylindazole-3-carboxylic acid50890-83-044 % similar 1-Methyl-2-quinolone606-43-943 % 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 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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