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

C₇H₅BrN₂CAS 183208-35-7197.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅BrN₂
Molar mass: 197.03 g/mol
Exact mass: 195.9636 Da
Melting point: 174–176 °C
logP: 2.28Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed77.2% of notifiers
H315 Causes skin irritation15.8% of notifiers
H318 Causes serious eye damage77.2% of notifiers
H319 Causes serious eye irritation12.3% of notifiers
H335 May cause respiratory irritation14% of notifiers

Aggregated from 57 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

183208-35-7

SMILES

Brc1c[nH]c2nccc-2c1

InChIKey

LPTVWZSQAIDCEB-UHFFFAOYSA-N

InChI

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

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-
5-Bromo-7-azaindole

Work with 5-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

1H-Pyrrolo[2,3-b]pyridin-5-ol98549-88-355 % similar 1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid944059-24-950 % similar 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid754214-42-146 % similar 2,4-Dibromopyridine58530-53-343 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-240 % similar tert-Butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-bromobenzoate1628047-84-640 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine876343-82-738 % similar 2-Amino-5-bromopyridine1072-97-538 % 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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