2-Amino-3-(trifluoromethyl)pyridine

C₆H₅F₃N₂CAS 183610-70-0162.12 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 swallowed97.5% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

183610-70-0

SMILES

C1=CC(=C(N=C1)N)C(F)(F)F

InChIKey

YWOWJQMFMXHLQD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-Fluoro-3-(trifluoromethyl)pyridine65753-52-862 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-459 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-256 % similar 2-Amino-3-fluoropyridine21717-95-355 % similar 2-Bromo-3-(trifluoromethyl)pyridine175205-82-055 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-155 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-550 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-150 % 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-6-(trifluoromethyl)pyridine34486-24-3 4-Amino-3-(trifluoromethyl)pyridine387824-61-5 5-(Trifluoromethyl)pyridin-2-amine74784-70-6

Elsewhere

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