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

C₇H₄BrClN₂CAS 1000340-39-5231.48 g/mol

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Properties

Molecular formula: C₇H₄BrClN₂
Molar mass: 231.48 g/mol
Exact mass: 229.9246 Da
logP: 2.98Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1000340-39-5

SMILES

Clc1ccnc2[nH]cc(Br)c12

InChIKey

QLGXTRWCWHBPDP-UHFFFAOYSA-N

InChI

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

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Names and synonyms

2 names

1H-Pyrrolo[2,3-b]pyridine, 3-bromo-4-chloro-
3-Bromo-4-chloro-7-azaindole

Work with 3-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

3,4-Dibromo-7-azaindole1000340-33-968 % similar 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-860 % similar 4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine688782-02-760 % similar 4-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxaldehyde1000340-35-148 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-839 % similar 1-Bromo-8-chloronaphthalene20816-79-937 % similar 7-Chloro-1H-pyrrolo[3,2-B]pyridine357263-48-037 % similar 2,4-Dichloro-3-methylpyridine132097-09-735 % similar

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

Same formula

5-Bromo-4-chloro-1H-indazole1082041-90-4 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-7 4-Bromo-6-chloro-1H-indazole885519-03-9

Elsewhere

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