3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridine-2-carbonitrile

C₁₅H₈F₃N₃SCAS 104960-55-6319.31 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile Primary amine

Properties

Molecular formula: C₁₅H₈F₃N₃S
Molar mass: 319.31 g/mol
Exact mass: 319.0391 Da
logP: 4.44Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

104960-55-6

SMILES

C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C#N)N

InChIKey

NIZDSIGQLYCWQN-UHFFFAOYSA-N

InChI

InChI=1S/C15H8F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,20H2

Weigh it out

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Work with 3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridine-2-carbonitrile

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-Amino-6-methyl-4-(trifluoromethyl)thieno[2,3-B]pyridine-2-carbonitrile317840-08-766 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-339 % similar 2-Amino-5-cyanobenzotrifluoride327-74-234 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-634 % similar 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile3335-44-234 % similar 4,6-Diphenylpyrimidin-2-amine40230-24-833 % similar 5-Amino-3-(trifluoromethyl)picolinonitrile573762-62-633 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-733 % similar

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

Elsewhere

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