chempirical

2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

C7HCl2F3N2CAS 13600-42-5240.99 g/mol

Open in Covalent MOL file
NClClNFFF
Alkyl halideAryl halideNitrile

Properties

Molecular formula
C7HCl2F3N2
Molar mass
240.99 g/mol
Exact mass
239.9469 Da
logP
3.28Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
13600-42-5
SMILES
C1=C(C(=C(N=C1Cl)Cl)C#N)C(F)(F)F
InChIKey
WRXXBTBGBXYHSG-UHFFFAOYSA-N
InChI
InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H

Weigh it out

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

Work with 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

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

2,6-Dichloro-4-(trifluoromethyl)-3-pyridinamine175277-67-555 % similar 2,6-Dichloro-4-methyl-3-pyridinecarbonitrile875-35-455 % similar 2,6-Dichloro-4-(trifluoromethyl)-3-pyridinecarboxamide158063-67-351 % similar 2-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-050 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-149 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-747 % similar 2,6-Dichloro-4-(trifluoromethyl)benzonitrile157021-61-944 % similar 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile3335-46-442 % similar

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

Elsewhere

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