5-Amino-2-(trifluoromethyl)pyridine

C₆H₅F₃N₂CAS 106877-33-2162.12 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 swallowed89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction91.3% of notifiers
H319 Causes serious eye irritation100% 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, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

106877-33-2

SMILES

C1=CC(=NC=C1N)C(F)(F)F

InChIKey

IBOZOWZSXZNIHI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Amino-2-(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

5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-053 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-553 % similar 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-253 % similar 2-Amino-5-(trifluoromethyl)pyrazine69816-38-250 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-548 % similar 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-148 % similar 6-(Trifluoromethyl)pyridine-3-methanol386704-04-748 % similar 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(trifluoromethyl)pyridine106447-97-6 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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