3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine

C6H3BrClN3CAS 960613-96-1232.46 g/mol

Open in Covalent MOL file
NNBrNCl
Aryl halide

Properties

Molecular formula
C6H3BrClN3
Molar mass
232.46 g/mol
Exact mass
230.9199 Da
logP
2.15Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
960613-96-1
SMILES
C1=CN2C(=C(C=N2)Br)N=C1Cl
InChIKey
IYSBSUPWYUVHKG-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 3-Bromo-5-chloropyrazolo[1,5-A]pyrimidine

Work with 3-Bromo-5-chloropyrazolo(1,5-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

5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine1363380-51-151 % similar 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-649 % similar 3-Bromopyrazolo(1,5-a)pyrimidine55405-67-947 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-746 % similar 3-Bromo-pyrazolo[1,5-A]pyridine5910-12-341 % similar 8-Bromo-[1,2,4]triazolo[1,5-A]pyridine868362-18-941 % similar 3-Bromo-2,6-dichloropyridine866755-20-640 % similar 2-Bromo-6-chloropyridine5140-72-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-1 3-Bromo-6-chloroimidazo(1,2-b)pyridazine13526-66-4 3-Bromo-8-chloroimidazo[1,2-A]pyrazine143591-61-1 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-5 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-0 6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine916420-30-9 8-Bromo-6-chloroimidazo(1,2-b)pyridazine933190-51-3

Elsewhere

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