chempirical

3-Bromo-4-fluoropyridine

C5H3BrFNCAS 116922-60-2175.99 g/mol

Open in Covalent MOL file
NFBr
Aryl halide

Properties

Molecular formula
C5H3BrFN
Molar mass
175.99 g/mol
Exact mass
174.9433 Da
logP
1.98Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
116922-60-2
SMILES
C1=CN=CC(=C1F)Br
InChIKey
PKYADCLPLQPPKK-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrFN/c6-4-3-8-2-1-5(4)7/h1-3H

Weigh it out

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

Work with 3-Bromo-4-fluoropyridine

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-Bromo-3-fluoropyridine hydrochloride1159811-44-561 % similar 3-Bromo-4-methylpyridine3430-22-650 % similar 1-Bromo-2-fluorobenzene1072-85-148 % similar 4-Bromo-3-methylpyridine10168-00-045 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-942 % similar 2,4-Dibromo-1-fluorobenzene1435-53-641 % similar 1-Bromo-2,5-difluorobenzene399-94-041 % similar 1-(3-Bromopyridin-4-yl)ethanone111043-06-241 % similar

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

Same formula

4-Bromo-2-fluoropyridine128071-98-7 2-Bromo-6-fluoropyridine144100-07-2

Elsewhere

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