chempirical

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

C10H6F3N3SCAS 317840-08-7257.23 g/mol

Open in Covalent MOL file
SNNNH2FFF
Alkyl halideNitrilePrimary amine

Properties

Molecular formula
C10H6F3N3S
Molar mass
257.23 g/mol
Exact mass
257.0235 Da
logP
3.08Crippen estimate
Polar surface area
62.7 Ų
H-bond donors / acceptors
1 / 4
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
317840-08-7
SMILES
CC1=CC(=C2C(=C(SC2=N1)C#N)N)C(F)(F)F
InChIKey
XJKNYGYNTGJUJP-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F3N3S/c1-4-2-5(10(11,12)13)7-8(15)6(3-14)17-9(7)16-4/h2H,15H2,1H3

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Work with 3-Amino-6-methyl-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-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridine-2-carbonitrile104960-55-666 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-336 % similar 5-Amino-3-(trifluoromethyl)picolinonitrile573762-62-635 % similar 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile13600-42-534 % similar 2,6-Dichloro-4-(trifluoromethyl)pyridin-3-amine175277-67-533 % similar 4-Methyl-3-(trifluoromethyl)benzonitrile261952-06-133 % similar 2-Amino-5-cyanobenzotrifluoride327-74-233 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-633 % similar

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

Elsewhere

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