5-(Trifluoromethyl)pyridin-3-amine

C₆H₅F₃N₂CAS 112110-07-3162.12 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% 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, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

112110-07-3

SMILES

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

InChIKey

NJFRBMFEAGFNDC-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

5-Trifluoromethyl-pyridin-3-ylamine

Work with 5-(Trifluoromethyl)pyridin-3-amine

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

3,5-Bis(trifluoromethyl)pyridine20857-47-067 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-558 % similar 3,5-Diaminobenzotrifluoride368-53-658 % similar 3-Bromo-5-(trifluoromethyl)pyridine436799-33-653 % similar 3-Chloro-5-(trifluoromethyl)pyridine85148-26-153 % similar 3-(Trifluoromethyl)aniline98-16-850 % similar 3-Fluoro-5-trifluoromethylaniline454-67-148 % similar 5-Fluoro-3-pyridinamine210169-05-448 % 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 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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