5-Bromo-2-(trifluoromethyl)pyrimidine

C₅H₂BrF₃N₂CAS 799557-86-1226.98 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₂BrF₃N₂
Molar mass: 226.98 g/mol
Exact mass: 225.9353 Da
logP: 2.26Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% 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+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

799557-86-1

SMILES

C1=C(C=NC(=N1)C(F)(F)F)Br

InChIKey

GIFDWXWNFKZVEI-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H

Weigh it out

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

Work with 5-Bromo-2-(trifluoromethyl)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-Bromo-2-(trifluoromethyl)pyridine436799-32-554 % similar 2-(Trifluoromethyl)pyrimidine116470-67-848 % similar 5-Bromo-2-fluoropyrimidine62802-38-448 % similar 5-Bromo-3-(trifluoromethyl)-2(1H)-pyridinone76041-79-747 % similar 5-Bromo-3-(trifluoromethyl)pyridin-2-amine79456-34-147 % similar 2,5-Dibromopyrimidine32779-37-646 % similar 5-Bromo-2-chloropyrimidine32779-36-544 % similar 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid306960-77-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-(trifluoro methyl)pryrimidine785777-87-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook