4-Amino-3-(trifluoromethyl)pyridine

C₆H₅F₃N₂CAS 387824-61-5162.12 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₅F₃N₂
Molar mass: 162.12 g/mol
Exact mass: 162.0405 Da
logP: 1.51Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed88.6% of notifiers
H301 Toxic if swallowed11.4% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

387824-61-5

SMILES

N=c1cc[nH]cc1C(F)(F)F

InChIKey

DYAGVPKVELUYPJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

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

Work with 4-Amino-3-(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-Methyl-4-pyridinamine1990-90-545 % similar 4-Amino-3-hydroxypyridine52334-53-945 % similar 3,4-Diaminopyridine54-96-645 % similar 3-Iodo-4-pyridinamine88511-27-745 % similar 4-Amino-3-pyridinecarboxamide7418-66-839 % similar 5-Bromo-4-(trifluoromethyl)pyridin-2-amine944401-56-339 % similar 4-Amino-3-nitropyridine1681-37-438 % similar 4-Aminonicotinic acid7418-65-738 % 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 3-Amino-4-(trifluoromethyl)pyridine175204-80-5 2-Amino-3-(trifluoromethyl)pyridine183610-70-0 2-Amino-6-(trifluoromethyl)pyridine34486-24-3 5-(Trifluoromethyl)pyridin-2-amine74784-70-6

Elsewhere

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