tert-Butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate

C₁₈H₁₇BrN₂O₃CAS 1628047-84-6389.25 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₁₈H₁₇BrN₂O₃
Molar mass: 389.25 g/mol
Exact mass: 388.0423 Da
logP: 5.02Crippen estimate
Polar surface area: 64.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

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

1628047-84-6

SMILES

CC(C)(C)OC(=O)c1ccc(Br)cc1Oc1c[nH]c2nccc-2c1

InChIKey

QTUZSJSEZUZNAS-UHFFFAOYSA-N

InChI

InChI=1S/C18H17BrN2O3/c1-18(2,3)24-17(22)14-5-4-12(19)9-15(14)23-13-8-11-6-7-20-16(11)21-10-13/h4-10H,1-3H3,(H,20,21)

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Names and synonyms

1 names

Benzoic acid, 4-bromo-2-(1H-pyrrolo[2,3-B]pyridin-5-yloxy)-, 1,1-dimethylethyl ester

Work with tert-Butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate

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

5-Bromo-1H-pyrrolo[2,3-b]pyridine183208-35-740 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-839 % similar Methyl 4-bromo-2-methoxybenzoate139102-34-437 % similar 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid1235865-77-637 % similar tert-Butyl 2-chloropyridine-4-carboxylate295349-62-136 % similar 4-Bromophthalic anhydride86-90-835 % similar N-Boc-5-bromoisoindoline201940-08-134 % similar 4-(Boc-amino)-2-bromopyridine433711-95-634 % similar

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

Elsewhere

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