Methyl 6-methoxy-1H-indole-2-carboxylate

C₁₁H₁₁NO₃CAS 98081-83-5205.21 g/mol

Open in Covalent MOL file

Ester Ether

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 1.96Crippen estimate
Polar surface area: 51.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

98081-83-5

SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)OC

InChIKey

OPUUCOLVBDQWEY-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO3/c1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h3-6,12H,1-2H3

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

Names and synonyms

1 names

Methyl-6-methoxy-2-indolecarboxylate

Work with Methyl 6-methoxy-1H-indole-2-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

6-Methoxy-1H-indole-2-carboxylic acid16732-73-366 % similar Methyl 1H-indole-2-carboxylate1202-04-664 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-957 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-151 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-550 % similar Methyl 2,4-dimethoxybenzoate2150-41-650 % similar 6-Chloro-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid methyl ester1140512-58-849 % similar Methyl 2-amino-5-methoxybenzoate2475-80-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 7-Amino-4-(methoxymethyl)-2H-chromen-2-one175205-10-4 Indole-3-lactic acid1821-52-9

Elsewhere

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