chempirical

4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine

C10H5ClF3N3CAS 204394-70-7259.62 g/mol

Open in Covalent MOL file
NNNClFFF
Alkyl halideAryl halide

Properties

Molecular formula
C10H5ClF3N3
Molar mass
259.62 g/mol
Exact mass
259.0124 Da
logP
3.21Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
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
204394-70-7
SMILES
C1=CN=CC=C1C2=NC(=CC(=N2)Cl)C(F)(F)F
InChIKey
BXRCPVMQUNIGDK-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF3N3/c11-8-5-7(10(12,13)14)16-9(17-8)6-1-3-15-4-2-6/h1-5H

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Names and synonyms

1 names
  • 4-Chloro-2-(4-pyridyl)-6-(trifluoromethyl)pyrimidine

Work with 4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine

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

2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-654 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-551 % similar 2-Chloro-4-iodo-6-(trifluoromethyl)pyridine205444-22-046 % similar 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-146 % similar Fenclorim3740-92-944 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-844 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-443 % similar 2-Chloro-6-(trifluoromethyl)isonicotinonitrile1196155-38-043 % similar

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

Elsewhere

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