chempirical

2-Amino-6-chlorobenzonitrile

C7H5ClN2CAS 6575-11-7152.58 g/mol

Open in Covalent MOL file
NH2NCl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
136–137 °C
logP
1.79Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
6575-11-7
SMILES
N#Cc1c(N)cccc1Cl
InChIKey
MEJVTQKBWPYBFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2

Weigh it out

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

Names and synonyms

6 names
  • 6-Amino-2-chlorobenzonitrile
  • 6-Chloroanthranilonitrile
  • NSC 129936
  • 3-Chloro-2-cyanoaniline
  • Benzonitrile, 2-amino-6-chloro-
  • Anthranilonitrile, 6-chloro-

Work with 2-Amino-6-chlorobenzonitrile

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

2,6-Dichlorobenzonitrile1194-65-668 % similar 2-Amino-6-fluorobenzonitrile77326-36-458 % similar 2-Chloroaniline95-51-258 % similar 2-Chloro-6-methylbenzonitrile6575-09-355 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % similar 3-Amino-4-chlorobenzonitrile53312-79-153 % similar o-Chloroaniline hydrochloride137-04-252 % similar 2-Amino-3-chlorobenzonitrile53312-77-950 % similar

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

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-B]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 3-Chloroindazole29110-74-5 7-Chloro-1H-pyrrolo[2,3-C]pyridine357263-41-3

Elsewhere

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