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

Hazards

Danger

H302 Harmful if swallowed14.9% of notifiers
H311 Toxic in contact with skin10.6% of notifiers
H315 Causes skin irritation95.7% of notifiers
H318 Causes serious eye damage83% of notifiers
H319 Causes serious eye irritation14.9% of notifiers
H332 Harmful if inhaled10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

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

Weigh it out

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-2-fluorobenzonitrile53312-80-472 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-864 % similar 2,5-Diaminobenzonitrile14346-13-560 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Fluoro-5-iodobenzonitrile351003-36-656 % similar 5-Amino-2-chlorobenzonitrile35747-58-156 % similar 5-Amino-2-methylbenzonitrile50670-64-956 % 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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