chempirical

2-Amino-4-(trifluoromethyl)pyridine

C6H5F3N2CAS 106447-97-6162.12 g/mol

Open in Covalent MOL file
NFFFNH2
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
106447-97-6
SMILES
C1=CN=C(C=C1C(F)(F)F)N
InChIKey
RWGBXAQMUBGGKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-5(10)3-4/h1-3H,(H2,10,11)

Weigh it out

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

Work with 2-Amino-4-(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

2-Fluoro-4-(trifluoromethyl)pyridine118078-66-357 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-955 % similar 4-(Trifluoromethyl)-2(1H)-pyridinone50650-59-455 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-655 % similar 4-(Trifluoromethyl)pyridine3796-24-546 % similar 3-(Trifluoromethyl)aniline98-16-844 % similar 3,5-Bis(trifluoromethyl)benzene402-31-343 % similar 4-Chloro-7-(trifluoromethyl)quinoline346-55-442 % similar

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

Same formula

5-Amino-2-(trifluoromethyl)pyridine106877-33-2 5-(Trifluoromethyl)pyridin-3-amine112110-07-3 4-Amino-2-trifluoromethylpyridine147149-98-2 3-Amino-4-trifluoromethylpyridine175204-80-5 4-Amino-3-trifluoromethylpyridine387824-61-5

Elsewhere

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