5-Bromo-3-iodo-1H-pyrrolo(2,3-b)pyridine

C₇H₄BrIN₂CAS 757978-18-0322.93 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₄BrIN₂
Molar mass: 322.93 g/mol
Exact mass: 321.8603 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 swallowed88.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

757978-18-0

SMILES

C1=C(C=NC2=C1C(=CN2)I)Br

InChIKey

GIPGJYARDOQGDJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrIN2/c8-4-1-5-6(9)3-11-7(5)10-2-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

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

Work with 5-Bromo-3-iodo-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

5-Bromo-3-methyl-7-azaindole1111637-94-564 % similar 5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-751 % similar 3-Iodo-7-azaindole23616-57-149 % similar 2-Bromo-7-iodo-5H-pyrrolo(2,3-b)pyrazine875781-44-546 % similar 2-Amino-5-bromo-3-iodopyridine381233-96-146 % similar 5-Bromo-3-iodo-1H-pyrazolo[3,4-b]pyridine875781-18-345 % similar 6-Bromo-3H-imidazo[4,5-b]pyridine28279-49-443 % similar 5-Bromo-3-iodo-2-methoxypyridine578007-66-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-iodo (1H)indazole459133-66-5 6-Bromo-4-iodo-1H-indazole885519-41-5 6-Bromo-3-iodo-1H-indazole885521-88-0

Elsewhere

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