6-Bromo-pyrazolo[1,5-A]pyrimidine

C₆H₄BrN₃CAS 705263-10-1198.02 g/mol

Open in Covalent MOL file

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

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

705263-10-1

SMILES

C1=C2N=CC(=CN2N=C1)Br

InChIKey

VDHTXLUCUNPVLO-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

6-Bromopyrazolo[1,5-a]pyrimidine

Work with 6-Bromo-pyrazolo[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

6-Bromo-(1,2,4)triazolo(1,5-a)pyridine356560-80-055 % similar 6-Bromopyrazolo(1,5-a)pyridine1264193-11-452 % similar Pyrazolopyrimidine274-71-545 % similar 5-Bromopyrazolo[1,5-A]pyridine1060812-84-142 % similar 6-Bromoimidazo[1,2-a]pyrimidine865156-68-941 % similar 4-Bromo-1-methyl-1H-pyrazole15803-02-838 % similar 6-Bromoimidazo[1,2-A]pyridine6188-23-437 % similar 5,5'-Dibromo-2,2'-bipyridine15862-18-737 % 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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