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

C₇H₄BrClN₂CAS 876343-82-7231.48 g/mol

Open in Covalent MOL file

Aryl halide

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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

2 names

1H-Pyrrolo[2,3-b]pyridine, 5-bromo-4-chloro-
5-Bromo-4-chloro-1H-pyrrolo(2,3-b)pyridine

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 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile1262411-25-540 % similar 5-Bromo-4-chloro-2,3-pyridinediamine1131604-99-338 % similar 5-Bromo-1H-pyrrolo[2,3-b]pyridine183208-35-738 % similar 3-Bromo-7-azaindole74420-15-837 % similar 1,3-Dibromo-2-chlorobenzene19230-27-437 % 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 5-Bromo-3-chloro-1H-indazole36760-19-7 5-Bromo-7-chloro-1H-indazole635712-44-6 4-Bromo-6-chloro-1H-indazole885519-03-9 6-Chloro-3-bromo-imidazo[1,2-A]pyridine886371-28-4 4-Bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine942920-50-5

Elsewhere

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