3,4-Dibromopyridine

C5H3Br2NCAS 13534-90-2236.89 g/mol

Open in Covalent MOL file
NBrBr
Aryl halide

Properties

Molecular formula
C5H3Br2N
Molar mass
236.89 g/mol
Exact mass
234.8632 Da
logP
2.61Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13534-90-2
SMILES
C1=CN=CC(=C1Br)Br
InChIKey
ZFZWZGANFCWADD-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H

Weigh it out

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

Work with 3,4-Dibromopyridine

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-methylpyridine10168-00-058 % similar 3-Bromo-4-fluoropyridine116922-60-258 % similar 4-Amino-3-bromopyridine13534-98-058 % similar 4-Bromopyridin-3-ol161417-28-358 % similar 3-Amino-4-bromopyridine239137-39-458 % similar 4-Bromo-3-fluoropyridine2546-52-358 % similar 3-Bromo-4-methylpyridine3430-22-658 % similar 3-Bromo-4-chloropyridine36953-42-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dibromopyridine13534-89-9 2,4-Dibromopyridine58530-53-3 2,5-Dibromopyridine624-28-2 3,5-Dibromopyridine625-92-3 2,6-Dibromopyridine626-05-1

Elsewhere

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