4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine

C6H5BrClFN2CAS 188416-28-6239.47 g/mol

Open in Covalent MOL file
BrNNClF
Alkyl halideAryl halide

Properties

Molecular formula
C6H5BrClFN2
Molar mass
239.47 g/mol
Exact mass
237.9309 Da
logP
2.73Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
188416-28-6
SMILES
CC(Br)c1ncnc(Cl)c1F
InChIKey
AAESVRBYUDTWKH-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)6(8)11-2-10-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 4-(1-bromoethyl)-6-chloro-5-fluoro-

Work with 4-(1-Bromoethyl)-6-chloro-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

4,6-Dichloro-5-fluoropyrimidine213265-83-953 % similar 4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-345 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-144 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-336 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-635 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-535 % similar 6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol188416-35-534 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook