chempirical

2-Bromo-4-cyanopyridine

C6H3BrN2CAS 10386-27-3183.01 g/mol

Open in Covalent MOL file
NNBr
Aryl halideNitrile

Properties

Molecular formula
C6H3BrN2
Molar mass
183.01 g/mol
Exact mass
181.9480 Da
logP
1.72Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
10386-27-3
SMILES
C1=CN=C(C=C1C#N)Br
InChIKey
AWSJFEKOXQBDSL-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2/c7-6-3-5(4-8)1-2-9-6/h1-3H

Weigh it out

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

Work with 2-Bromo-4-cyanopyridine

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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 2-Chloro-4-cyanopyridine33252-30-155 % similar 4-Cyanopyridine100-48-146 % similar (2-Bromopyridin-4-yl)methanol118289-16-045 % similar 2-Bromo-4-iodopyridine100523-96-445 % similar 3-Bromobenzonitrile6952-59-644 % similar Isophthalonitrile626-17-543 % similar 4-Pyridazinecarbonitrile68776-62-542 % similar

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

Same formula

6-Bromopyridine-2-carbonitrile122918-25-6 2-Bromo-5-cyanopyridine139585-70-9 3-Bromo-4-cyanopyridine13958-98-0 4-Bromo-3-pyridinecarbonitrile154237-70-4 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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