5-Bromo-4-azaindole

C₇H₅BrN₂CAS 1000341-51-4197.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 g/mol
Exact mass: 195.9636 Da
logP: 2.33Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1000341-51-4

SMILES

C1=CC(=NC2=C1NC=C2)Br

InChIKey

KJTANNMEOBCHKP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2/c8-7-2-1-5-6(10-7)3-4-9-5/h1-4,9H

Weigh it out

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

Names and synonyms

1 names

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

Work with 5-Bromo-4-azaindole

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

1H-Pyrrolo[3,2-B]pyridine-5-carboxylic acid872355-64-144 % similar 2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-842 % similar 5-Bromo-3H-imidazo[4,5-B]pyridine28279-52-942 % similar 1H-Pyrrolo[3,2-B]pyridine272-49-142 % similar 6-Bromo-1H-pyrrolo[3,2-B]pyridine944937-53-541 % similar 2,6-Dibromopyridine626-05-137 % similar 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-433 % similar 6-Bromopyridine-2,3-diamine129012-04-033 % similar

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

Same formula

2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo[1,5-A]pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5 5-Bromo-1H-pyrrolo[2,3-B]pyridine183208-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook