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

C₇H₅BrN₂CAS 143468-13-7197.03 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

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage66.7% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

143468-13-7

SMILES

C1=CC(=NC2=C1C=CN2)Br

InChIKey

LKXJGVGBEDEAAW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

6-Bromo-7-azaindole

Work with 6-Bromo-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

6-Chloro-1H-pyrrolo[2,3-B]pyridine55052-27-253 % similar 6-Methyl-1H-pyrrolo[2,3-b]pyridine824-51-153 % similar 6-Fluoro-1H-pyrrolo(2,3-b)pyridine898746-42-453 % similar 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile189882-33-548 % similar 6-Methoxy-1H-pyrrolo[2,3-b]pyridine896722-53-548 % similar 5-Bromo-3H-imidazo[4,5-b]pyridine28279-52-947 % similar 5-Bromo-4,7-diazaindole875781-43-447 % similar 1H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid898746-35-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-4-azaindole1000341-51-4 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 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5 5-Bromo-1H-pyrrolo[2,3-b]pyridine183208-35-7

Elsewhere

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