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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

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 3,4-Dibromopyridine13534-90-258 % similar 4-Amino-3-bromopyridine13534-98-050 % similar 3-Bromo-4-methylpyridine3430-22-650 % similar 3-Bromo-4-chloropyridine36953-42-150 % similar 3-Bromo-4-(trifluoromethyl)pyridine936841-70-250 % similar 1-Bromo-2-fluorobenzene1072-85-148 % similar 5,8-Dibromoisoquinoline81045-39-846 % 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 4-Bromo-3-fluoropyridine2546-52-3 2-Bromo-4-fluoropyridine357927-50-5 3-Bromo-2-fluoropyridine36178-05-9 2-Bromo-3-fluoropyridine40273-45-8 3-Bromo-5-fluoropyridine407-20-5 2-Bromo-5-fluoropyridine41404-58-4

Elsewhere

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