chempirical

2-Amino-5-bromobenzonitrile

C7H5BrN2CAS 39263-32-6197.03 g/mol

Open in Covalent MOL file
NBrH2N
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
Melting point
96–97 °C
logP
1.90Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
39263-32-6
SMILES
N#Cc1cc(Br)ccc1N
InChIKey
OATYCBHROMXWJO-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

Weigh it out

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

Names and synonyms

7 names
  • Benzonitrile, 2-amino-5-bromo-
  • Anthranilonitrile, 5-bromo-
  • 5-Bromoanthranilonitrile
  • 2-Cyano-4-bromoaniline
  • 4-Bromo-2-cyanoaniline
  • NSC 263786
  • 5-Bromo-2-aminobenzonitrile

Work with 2-Amino-5-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

5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-556 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 2-Amino-5-chlorobenzonitrile5922-60-156 % similar 5-Bromo-2-methoxybenzonitrile144649-99-056 % similar 4-Bromo-1,2-benzenediamine1575-37-754 % 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 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-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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