6-(Trifluoromethyl)pyridine-3-amidine hydrochloride

C₇H₇ClF₃N₃CAS 221313-11-7225.60 g/mol

Open in Covalent MOL file

Alkyl halide Amidine

Properties

Molecular formula: C₇H₇ClF₃N₃
Molar mass: 225.60 g/mol
Exact mass: 225.0281 Da
logP: 1.81Crippen estimate
Polar surface area: 62.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

221313-11-7

SMILES

Cl.N=C(N)c1ccc(C(F)(F)F)nc1

InChIKey

HUKUESHULWUKHP-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3N3.ClH/c8-7(9,10)5-2-1-4(3-13-5)6(11)12;/h1-3H,(H3,11,12);1H

Weigh it out

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

Names and synonyms

2 names

3-Pyridinecarboximidamide, 6-(trifluoromethyl)-, hydrochloride (1:1)
3-Pyridinecarboximidamide, 6-(trifluoromethyl)-, monohydrochloride

Work with 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride

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-(Trifluoromethyl)benzamidine Hydrochloride38980-96-061 % similar 4-(Trifluoromethyl)benzamidine hydrochloride dihydrate175278-62-356 % similar 6-(Trifluoromethyl)nicotinamide386715-35-156 % similar 3,5-Bis(trifluoromethyl)benzamidine hydrochloride97603-94-653 % similar 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-050 % similar 6-Trifluoromethylnicotinic acid231291-22-849 % similar 6-(Trifluoromethyl)nicotinoyl chloride358780-13-949 % similar Nicotinamidine hydrochloride7356-60-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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