5-Amino-2-fluorobenzonitrile

C₇H₅FN₂CAS 53312-81-5136.13 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

53312-81-5

SMILES

N#Cc1cc(N)ccc1F

InChIKey

HHTRAISBAAXRKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2

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

Names and synonyms

3 names

Benzonitrile, 5-amino-2-fluoro-
3-Cyano-4-fluoroaniline
2-Fluoro-5-aminobenzonitrile

Work with 5-Amino-2-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

4-Amino-1,2-benzenedicarbonitrile56765-79-864 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Fluoro-5-iodobenzonitrile351003-36-656 % similar 5-Chloro-2-fluorobenzonitrile57381-34-756 % similar 3,4-Difluoroaniline3863-11-454 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-553 % similar 2-Fluorobenzonitrile394-47-852 % 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 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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