chempirical

2-Amino-3-bromobenzonitrile

C7H5BrN2CAS 114344-60-4197.03 g/mol

Open in Covalent MOL file
BrNH2N
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
logP
1.90Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
114344-60-4
SMILES
C1=CC(=C(C(=C1)Br)N)C#N
InChIKey
RTIWACSVMFUEBF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2

Weigh it out

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Work with 2-Amino-3-bromobenzonitrile

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-Bromobenzonitrile2042-37-762 % similar 2-Amino-3-chlorobenzonitrile53312-77-960 % similar 2-Amino-3-fluorobenzonitrile115661-37-558 % similar 2,6-Dibromoaniline608-30-056 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-353 % similar 2-Aminobenzonitrile1885-29-648 % similar Phthalonitrile91-15-648 % similar 2-Amino-3-bromophenol116435-77-945 % similar

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

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 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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