5-Amino-3-(trifluoromethyl)picolinonitrile

C₇H₄F₃N₃CAS 573762-62-6187.13 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₄F₃N₃
Molar mass: 187.13 g/mol
Exact mass: 187.0357 Da
logP: 1.55Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

573762-62-6

SMILES

C1=C(C=NC(=C1C(F)(F)F)C#N)N

InChIKey

WLMSCOVORZUSNW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,3H,12H2

Weigh it out

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

Names and synonyms

1 names

5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile

Work with 5-Amino-3-(trifluoromethyl)picolinonitrile

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

5-Bromo-3-(trifluoromethyl)-2-pyridinecarbonitrile1214377-57-762 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-653 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-343 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-643 % similar 2-Amino-5-cyanobenzotrifluoride327-74-241 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-241 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-239 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-339 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook