chempirical

3-Bromo-4-cyanopyridine

C6H3BrN2CAS 13958-98-0183.01 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
13958-98-0
SMILES
C1=CN=CC(=C1C#N)Br
InChIKey
VPDIXJCBBUZNPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H

Weigh it out

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

Work with 3-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-Bromobenzonitrile2042-37-756 % similar 3-Fluoro-4-pyridinecarbonitrile113770-88-055 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-950 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-646 % similar 3-Bromo-4-fluoropyridine116922-60-245 % similar 3-Bromo-4-methylpyridine3430-22-645 % similar 2-Bromo-4-fluorobenzonitrile36282-26-544 % similar 2-Bromo-4-chlorobenzonitrile57381-49-444 % similar

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

Same formula

2-Bromo-4-cyanopyridine10386-27-3 6-Bromopyridine-2-carbonitrile122918-25-6 2-Bromo-5-cyanopyridine139585-70-9 4-Bromo-3-pyridinecarbonitrile154237-70-4 4-Bromo-2-pyridinecarbonitrile62150-45-2

Elsewhere

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