chempirical

2-Amino-6-fluorobenzonitrile

C7H5FN2CAS 77326-36-4136.13 g/mol

Open in Covalent MOL file
NH2NF
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5FN2
Molar mass
136.13 g/mol
Exact mass
136.0437 Da
Melting point
125–127 °C
logP
1.28Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
77326-36-4
SMILES
N#Cc1c(N)cccc1F
InChIKey
IQUNZGOZUJITBJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/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

4 names
  • Benzonitrile, 2-amino-6-fluoro-
  • 2-Cyano-3-fluorophenylamine
  • 6-Amino-2-fluorobenzenecarbonitrile
  • 6-Fluoro-2-aminobenzonitrile

Work with 2-Amino-6-fluorobenzonitrile

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-Difluorobenzonitrile1897-52-569 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Amino-6-chlorobenzonitrile6575-11-758 % similar 2-Chloro-6-fluorobenzonitrile668-45-158 % similar 2-Cyano-3-fluorophenol140675-43-056 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-756 % similar 2-Fluoroaniline348-54-956 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-353 % similar

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

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 5-Fluoro-1H-indazole348-26-5 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-7 4-Amino-2-fluorobenzonitrile53312-80-4 5-Amino-2-fluorobenzonitrile53312-81-5 4-Amino-3-fluorobenzonitrile63069-50-1 4-Fluoro-1H-pyrrolo[2,3-B]pyridine640735-23-5

Elsewhere

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