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

C₇H₅BrN₂CAS 348640-06-2197.03 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

H301 Toxic if swallowed91.7% of notifiers
H315 Causes skin irritation95.8% of notifiers
H318 Causes serious eye damage93.8% of notifiers
H335 May cause respiratory irritation93.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

348640-06-2

SMILES

C1=CNC2=NC=CC(=C21)Br

InChIKey

LEZHTYOQWQEBLH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4-Bromo-7-azaindole

Work with 4-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

4-Iodo-7-azaindole319474-34-555 % similar 4-Chloro-7-azaindole55052-28-355 % similar 3-Bromo-7-azaindole74420-15-853 % similar 3,4-Dibromo-7-azaindole1000340-33-950 % similar 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-950 % similar 1H-Pyrrolo(2,3-b)pyridine-4-carbonitrile344327-11-350 % similar 1H-Pyrrolo[2,3-b]pyridine-4-carbaldehyde728034-12-650 % similar 4,7-Dibromo-1,10-phenanthroline156492-30-748 % 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 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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