2-Amino-4-(trifluoromethyl)pyridine

C₆H₅F₃N₂CAS 106447-97-6162.12 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

H300 Fatal if swallowed50.6% of notifiers
H314 Causes severe skin burns and eye damage35.4% of notifiers
H315 Causes skin irritation64.6% of notifiers
H317 May cause an allergic skin reaction51.9% of notifiers
H318 Causes serious eye damage35.4% of notifiers
H319 Causes serious eye irritation64.6% of notifiers
H335 May cause respiratory irritation63.3% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

106447-97-6

SMILES

C1=CN=C(C=C1C(F)(F)F)N

InChIKey

RWGBXAQMUBGGKQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-061 % similar 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-357 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-955 % similar 2-Hydroxy-4-(trifluoromethyl)pyridine50650-59-455 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-750 % similar 2-Amino-4-fluoropyridine944401-77-850 % similar 6-(Trifluoromethyl)pyrimidin-4-amine672-41-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 4-Amino-3-(trifluoromethyl)pyridine387824-61-5 5-(Trifluoromethyl)pyridin-2-amine74784-70-6

Elsewhere

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