chempirical

6-(Trifluoromethyl)pyridine-3-amidine hydrochloride

C7H7ClF3N3CAS 221313-11-7225.60 g/mol

Open in Covalent MOL file
HClHNH2NFFFN
Alkyl halideAmidine

Properties

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

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

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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

6-(Trifluoromethyl)-3-pyridinecarboxamide386715-35-156 % similar 6-Trifluoromethylnicotinic acid231291-22-849 % similar 3-Guanylpyridine hydrochloride7356-60-748 % similar 4-Fluorobenzamidine hydrochloride456-14-447 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-245 % similar p-Aminobenzamidine dihydrochloride2498-50-245 % similar 4-Chlorobenzamidine hydrochloride14401-51-544 % similar p-Hydroxybenzamidine monohydrochloride38148-63-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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