Methyl 1H-indole-4-carboxylate

C10H9NO2CAS 39830-66-5175.19 g/mol

Open in Covalent MOL file
OONH
Ester

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
logP
1.95Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
39830-66-5
SMILES
COC(=O)C1=C2C=CNC2=CC=C1
InChIKey
WEAXQUBYRSEBJD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3

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Names and synonyms

1 names
  • Methyl indole-4-carboxylate

Reactions

Work with Methyl 1H-indole-4-carboxylate

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

Methyl indole-3-carboxylate942-24-565 % similar Methyl 6-bromoindole-4-carboxylate107650-22-661 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-461 % similar 4-(1H)Indazole carboxylic acid methyl ester192945-49-660 % similar Methyl indole-7-carboxylate93247-78-059 % similar Indole-4-carboxylic acid2124-55-255 % similar Dimethyl phthalate131-11-355 % similar Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-354 % 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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