Methyl indole-6-carboxylate

C₁₀H₉NO₂CAS 50820-65-0175.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉NO₂
Molar mass: 175.19 g/mol
Exact mass: 175.0633 Da
Melting point: 78–79 °C
logP: 1.95Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

50820-65-0

SMILES

COC(=O)c1ccc2cc[nH]c2c1

InChIKey

AYYOZKHMSABVRP-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3

Weigh it out

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

Names and synonyms

5 names

Indole-6-carboxylic acid methyl ester
1H-Indole-6-carboxylic acid, methyl ester
Methyl 6-indolecarboxylate
Methyl 1H-indole-6-carboxylate
6-Methoxycarbonylindole

Work with Methyl indole-6-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

2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-364 % similar Methyl 1H-indazole-6-carboxylate170487-40-862 % similar Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate89937-77-958 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-557 % similar Methyl 4-amino-6-indolecarboxylate121561-15-757 % similar Methyl 4-bromo-1H-indole-6-carboxylate882679-96-157 % similar Methyl 2-naphthoate2459-25-857 % similar Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-456 % 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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