Ethyl 6-bromo-1H-pyrrolo[2,3-B]pyridine-2-carboxylate

C₁₀H₉BrN₂O₂CAS 577711-94-5269.10 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₉BrN₂O₂
Molar mass: 269.10 g/mol
Exact mass: 267.9847 Da
logP: 2.50Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

577711-94-5

SMILES

CCOC(=O)C1=CC2=C(N1)N=C(C=C2)Br

InChIKey

SIACTKRUXDDOQI-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-5-6-3-4-8(11)13-9(6)12-7/h3-5H,2H2,1H3,(H,12,13)

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Work with Ethyl 6-bromo-1H-pyrrolo[2,3-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 6-bromoindole-2-carboxylate103858-53-358 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-055 % similar Ethyl 1H-indole-2-carboxylate3770-50-153 % similar Ethyl 1H-pyrrolo[2,3-c]pyridine-2-carboxylate24334-19-852 % similar 6-Chloroindole-2-carboxylic acid ethyl ester27034-51-152 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-852 % similar Ethyl 1H-pyrrolo[3,2-c]pyridine-2-carboxylate800401-64-352 % similar Ethyl 6-bromopicolinate21190-88-551 % similar

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

Same formula

Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate372198-69-1 6-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester67625-37-0 Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate885276-93-7

Elsewhere

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