3-Bromoimidazo(1,2-a)pyrimidine

C₆H₄BrN₃CAS 6840-45-5198.02 g/mol

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Aryl halide

Properties

Molecular formula: C₆H₄BrN₃
Molar mass: 198.02 g/mol
Exact mass: 196.9589 Da
logP: 1.49Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% 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+P316, 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

6840-45-5

SMILES

C1=CN2C(=CN=C2N=C1)Br

InChIKey

GNHZXUKWLSWKHB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H

Weigh it out

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Names and synonyms

1 names

3-Bromoimidazo[1,2-A]pyrimidine

Work with 3-Bromoimidazo(1,2-a)pyrimidine

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

3-Bromoimidazo[1,2-A]pyridine4926-47-052 % similar 3-Bromoimidazo(1,2-a)pyrazine57948-41-147 % similar 3-Bromo-8-chloroimidazo[1,2-A]pyrazine143591-61-143 % similar 5-Bromo-imidazo[1,2-A]pyridine69214-09-142 % similar Imidazo(1,2-a)pyrimidine274-95-340 % similar 3-Bromoimidazo(1,2-b)pyridazine18087-73-537 % similar 6-Bromoimidazo[1,2-a]pyrimidine865156-68-937 % similar 3-Bromopyrazolo(1,5-a)pyrimidine55405-67-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 5-Bromo-7H-pyrrolo[2,3-D]pyrimidine175791-49-8

Elsewhere

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