Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate

C₁₀H₁₀N₂O₂CAS 17288-32-3190.20 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₁₀H₁₀N₂O₂
Molar mass: 190.20 g/mol
Exact mass: 190.0742 Da
logP: 1.74Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

17288-32-3

SMILES

CCOC(=O)C1=CC2=C(N1)C=CC=N2

InChIKey

NOWHXIDXMNNYBL-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

1H-Pyrrolo[3,2-B]pyridine-2-carboxylic acid ethyl ester

Work with Ethyl 1H-pyrrolo(3,2-b)pyridine-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

Ethyl 1H-indole-2-carboxylate3770-50-163 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-259 % similar Ethyl 1H-pyrrolo[3,2-c]pyridine-2-carboxylate800401-64-357 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-352 % similar Ethyl 6-bromoindole-2-carboxylate103858-53-351 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-051 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-151 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook