3-Amino-4-(trifluoromethyl)pyridine

C₆H₅F₃N₂CAS 175204-80-5162.12 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₆H₅F₃N₂
Molar mass: 162.12 g/mol
Exact mass: 162.0405 Da
logP: 1.68Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175204-80-5

SMILES

Nc1cnccc1C(F)(F)F

InChIKey

DROFUWWORPKKSI-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-3-5(4)10/h1-3H,10H2

Weigh it out

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

Names and synonyms

3 names

3-Amino-4-trifluoromethylpyridine
3-Pyridinamine, 4-(trifluoromethyl)-
4-(Trifluoromethyl)-3-pyridinamine

Work with 3-Amino-4-(trifluoromethyl)pyridine

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

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-957 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-755 % similar 2-(Trifluoromethyl)aniline88-17-552 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar 2,5-Bis(trifluoromethyl)aniline328-93-847 % similar 4-Trifluoromethylnicotinamide158062-71-646 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-246 % similar 4-Chloro-3-(trifluoromethyl)pyridine hydrochloride732306-24-046 % similar

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

Same formula

2-Amino-4-(trifluoromethyl)pyridine106447-97-6 5-Amino-2-(trifluoromethyl)pyridine106877-33-2 5-(Trifluoromethyl)pyridin-3-amine112110-07-3 4-Amino-2-trifluoromethylpyridine147149-98-2 2-Amino-3-(trifluoromethyl)pyridine183610-70-0 2-Amino-6-(trifluoromethyl)pyridine34486-24-3 4-Amino-3-trifluoromethylpyridine387824-61-5 5-(Trifluoromethyl)pyridin-2-amine74784-70-6

Elsewhere

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