chempirical

5-(Trifluoromethyl)pyridin-3-amine

C6H5F3N2CAS 112110-07-3162.12 g/mol

Open in Covalent MOL file
NH2NFFF
Alkyl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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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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-(Trifluoromethyl)aniline98-16-850 % similar 3-Fluoro-5-trifluoromethylaniline454-67-148 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-347 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-847 % 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 3-Amino-4-trifluoromethylpyridine175204-80-5 4-Amino-3-trifluoromethylpyridine387824-61-5

Elsewhere

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