5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine

C₇H₄BrClN₂CAS 876343-82-7231.48 g/mol

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Properties

Molecular formula: C₇H₄BrClN₂
Molar mass: 231.48 g/mol
Exact mass: 229.9246 Da
logP: 2.93Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

876343-82-7

SMILES

Clc1c(Br)c[nH]c2nccc1-2

InChIKey

FMDQNRHKEYTVBW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrClN2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)

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Names and synonyms

1 names

1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-chloro-

Work with 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine

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

4-Chloro-5-fluoro-1H-pyrrolo[2,3-B]pyridine882033-66-159 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-144 % similar 3,4-Dibromo-7-azaindole1000340-33-942 % similar 5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-338 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine183208-35-738 % similar 7-Deazaadenine1500-85-235 % similar 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-535 % similar 1H-Pyrrolo[2,3-B]pyridin-4-ol74420-02-335 % similar

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

Same formula

3-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine1000340-39-5 5-Bromo-4-chloro-1H-indazole1082041-90-4 4-Bromo-6-chloro-1H-indazole885519-03-9

Elsewhere

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