2-Bromo-5-fluoropyrimidine

C₄H₂BrFN₂CAS 947533-45-1176.98 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂BrFN₂
Molar mass: 176.98 g/mol
Exact mass: 175.9385 Da
logP: 1.38Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

947533-45-1

SMILES

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

InChIKey

ANSMRNCOBLTNBO-UHFFFAOYSA-N

InChI

InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H

Weigh it out

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

Work with 2-Bromo-5-fluoropyrimidine

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

2,5-Dibromopyrimidine32779-37-652 % similar 2-Chloro-5-fluoropyrimidine62802-42-050 % similar 2-Bromo-5-fluoropyridine41404-58-448 % similar 2-Bromopyrimidin-5-ol1240621-87-748 % similar 2-Bromo-5-chloropyrimidine124405-67-048 % similar 2-Bromo-5-methylpyrimidine150010-20-148 % similar 2-Bromo-3,5-difluoropyridine660425-16-144 % similar 2,3-Dibromo-5-fluoropyridine878207-82-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2-fluoropyrimidine62802-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook