4-Bromo-3-fluoropyridine hydrochloride

C5H4BrClFNCAS 1159811-44-5212.45 g/mol

Open in Covalent MOL file
NBrFHCl
Aryl halide

Properties

Molecular formula
C5H4BrClFN
Molar mass
212.45 g/mol
Exact mass
210.9200 Da
logP
2.41Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
1159811-44-5
SMILES
C1=CN=CC(=C1Br)F.Cl
InChIKey
NNSNDHTUFCXSAS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrFN.ClH/c6-4-1-2-8-3-5(4)7;/h1-3H;1H

Weigh it out

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

Work with 4-Bromo-3-fluoropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Bromo-3-fluoropyridine2546-52-3Free base

Similar compounds

3-Bromo-4-fluoropyridine116922-60-261 % similar 4-Chloro-3-fluoropyridine hcl119229-74-255 % similar 3,4-Dibromopyridine13534-90-252 % similar 3-Bromo-4-chloropyridine hydrochloride181256-18-850 % similar 4-Bromo-3-methylpyridine10168-00-045 % similar 4-Bromopyridin-3-ol161417-28-345 % similar 3-Fluoro-4-iodopyridine22282-75-345 % similar 4-Amino-3-fluoropyridine2247-88-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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