2-Chloro-5-(trifluoromethyl)pyrazine

C5H2ClF3N2CAS 799557-87-2182.53 g/mol

Open in Covalent MOL file
FFFNClN
Alkyl halideAryl halide

Properties

Molecular formula
C5H2ClF3N2
Molar mass
182.53 g/mol
Exact mass
181.9859 Da
logP
2.15Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
799557-87-2
SMILES
FC(F)(F)c1cnc(Cl)cn1
InChIKey
AIEGIFIEQXZBCP-UHFFFAOYSA-N
InChI
InChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H

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

Names and synonyms

2 names
  • Pyrazine, 2-chloro-5-(trifluoromethyl)-
  • 5-Chloro-2-trifluoromethylpyrazine

Work with 2-Chloro-5-(trifluoromethyl)pyrazine

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

2,5-Dichloropyrazine19745-07-455 % similar 2-Amino-5-(trifluoromethyl)pyrazine69816-38-252 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-350 % similar 2-Chloro-6-(trifluoromethyl)pyridine39890-95-447 % similar 2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-645 % similar 2-Chloro-5-(trifluoromethyl)-4-pyridinamine1061358-78-844 % similar 2-Chloro-5-(trifluoromethyl)-4-iodopyridine505084-55-944 % similar 5-Bromo-2-chloro-4-(trifluoromethyl)pyridine823221-93-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-6-(trifluoromethyl)pyridazine258506-68-2 2-Chloro-4-(trifluoromethyl)pyrimidine33034-67-2 4-Chloro-6-trifluoromethylpyrimidine37552-81-1 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-4

Elsewhere

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