chempirical

2-Bromo-5-cyano-4-picoline

C7H5BrN2CAS 1003711-35-0197.03 g/mol

Open in Covalent MOL file
NNBr
Aryl halideNitrile

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
logP
2.02Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1003711-35-0
SMILES
CC1=CC(=NC=C1C#N)Br
InChIKey
DHUDYHHQMIRPHS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3

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Work with 2-Bromo-5-cyano-4-picoline

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

6-Chloro-4-methyl-3-pyridinecarbonitrile66909-35-159 % similar 2,5-Dibromo-4-methylpyridine3430-26-053 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-946 % similar 2-Bromo-5-methyl-4-pyridinamine79055-60-046 % similar 5-Bromo-2-methylbenzonitrile156001-51-344 % similar 2,4-Dimethylbenzonitrile21789-36-643 % similar 2-Bromo-4-methyl-5-nitropyridine23056-47-543 % similar 2-Bromo-4-cyanopyridine10386-27-342 % similar

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

Same formula

5-Bromo-4-azaindole1000341-51-4 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo[1,5-A]pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-1H-pyrrolo[2,3-B]pyridine183208-35-7 5-Bromo-2-pyridineacetonitrile312325-72-7

Elsewhere

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