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

C₆H₅BrClFN₂CAS 188416-28-6239.47 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

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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 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 4,5,6-Trichloropyrimidine1780-27-433 % similar 4,6-Dichloro-5-methoxypyrimidine5018-38-232 % similar 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)188416-20-832 % similar 5-Bromo-4-chloropyrimidine56181-39-632 % similar

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

Elsewhere

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