chempirical

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

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 3-Bromo-4-methylpyridine3430-22-658 % similar 4-Bromo-3-fluoropyridine hydrochloride1159811-44-552 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-452 % similar 1-(3-Bromopyridin-4-yl)ethanone111043-06-247 % similar 3-Bromoisonicotinic acid13959-02-947 % similar 3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-92-842 % similar

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

Same formula

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

Elsewhere

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