chempirical

2-Amino-3-fluorobenzonitrile

C7H5FN2CAS 115661-37-5136.13 g/mol

Open in Covalent MOL file
FNH2N
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
115661-37-5
SMILES
C1=CC(=C(C(=C1)F)N)C#N
InChIKey
UNISSOLHERSZOW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2

Weigh it out

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

Work with 2-Amino-3-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-Fluorobenzonitrile394-47-863 % similar 2,3-Difluorobenzonitrile21524-39-060 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Amino-3-bromobenzonitrile114344-60-458 % similar 2-Amino-3-chlorobenzonitrile53312-77-958 % similar 2-Chloro-3-fluorobenzonitrile874781-08-558 % similar 2,6-Difluoroaniline5509-65-958 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-356 % similar

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

Same formula

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 2-Amino-6-fluorobenzonitrile77326-36-4

Elsewhere

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