Methyl indole-7-carboxylate

C₁₀H₉NO₂CAS 93247-78-0175.19 g/mol

Open in Covalent MOL file

Properties

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

93247-78-0

SMILES

COC(=O)C1=CC=CC2=C1NC=C2

InChIKey

FTLOEULOTNVCGF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Methyl 1H-indole-7-carboxylate

Work with Methyl indole-7-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 1H-indole-4-carboxylate39830-66-559 % similar 1H-Indole-7-carboxylic acid1670-83-355 % similar Dimethyl phthalate131-11-355 % similar Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-354 % similar Dimethyl 2,3-naphthalenedicarboxylate13728-34-253 % similar Methyl 2-chlorobenzoate610-96-850 % similar Methyl 2-amino-3-methoxybenzoate5121-34-649 % similar Methyl 7-azaindole-6-carboxylate1256825-86-148 % 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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