2-Amino-5-fluorobenzonitrile

C7H5FN2CAS 61272-77-3136.13 g/mol

Open in Covalent MOL file
FNNH2
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
61272-77-3
SMILES
C1=CC(=C(C=C1F)C#N)N
InChIKey
VFQDFQDXMNVDPW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2

Weigh it out

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Work with 2-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

4-Fluoro-1,2-benzenedicarbonitrile65610-14-264 % similar 2,5-Diaminobenzonitrile14346-13-560 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 2-Bromo-5-fluorobenzonitrile57381-39-256 % similar 2-Chloro-5-fluorobenzonitrile57381-56-356 % similar 2-Amino-5-chlorobenzonitrile5922-60-156 % similar 2-Amino-5-methylbenzonitrile5925-93-956 % 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 3-Amino-5-fluorobenzonitrile210992-28-2 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

Elsewhere

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