chempirical

3-Amino-5-fluorobenzonitrile

C7H5FN2CAS 210992-28-2136.13 g/mol

Open in Covalent MOL file
H2NFN
Aryl halideNitrilePrimary amine

Properties

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

Identifiers

CAS number
210992-28-2
SMILES
C1=C(C=C(C=C1N)F)C#N
InChIKey
FJHVWOFTAJCONF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2

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Names and synonyms

1 names
  • 5-Amino-3-fluorobenzonitrile

Work with 3-Amino-5-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

3,5-Dicyanofluorobenzene453565-55-468 % similar 3,5-Difluorobenzonitrile64248-63-168 % similar 3-Chloro-5-fluorobenzonitrile327056-73-560 % similar 3,5-Difluoroaniline372-39-456 % similar 3-Bromo-5-fluorobenzonitrile179898-34-155 % similar 3-Fluoro-5-methylbenzonitrile216976-30-655 % similar 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-152 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-650 % 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-Cyano-2-fluoro-3-picoline261625-67-6 4-Fluoroindazole341-23-1 7-Fluoro-1H-indazole341-24-2 6-Fluoro-1H-indazole348-25-4 5-Fluoro-1H-indazole348-26-5 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-7

Elsewhere

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