4-Amino-2,3,5,6-tetrafluoropyridine

C₅H₂F₄N₂CAS 1682-20-8166.08 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₂F₄N₂
Molar mass: 166.08 g/mol
Exact mass: 166.0154 Da
logP: 1.22Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled91.3% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1682-20-8

SMILES

C1(=C(C(=NC(=C1F)F)F)F)N

InChIKey

PLVFNMQHMRRBAA-UHFFFAOYSA-N

InChI

InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)

Weigh it out

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

Work with 4-Amino-2,3,5,6-tetrafluoropyridine

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

Pentafluoropyridine700-16-358 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-756 % similar Pentafluoroaniline771-60-853 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-650 % similar 3,5-Dichloro-2,6-difluoro-4-pyridinamine2840-00-850 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-048 % similar 4-Aminononafluorobiphenyl969-25-545 % similar 3-Chloro-2,4,5,6-tetrafluoropyridine1735-84-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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