3,5-dichloro-2-(trifluoromethyl)pyrazine

C5HCl2F3N2 — CID 46847209

IUPAC3,5-dichloro-2-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1ncc(Cl)nc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1-11-3(4(7)12-2)5(8,9)10/h1H
InChIKeyQCACSMMTRREPJM-UHFFFAOYSA-N
MW216.98 g/mol
LogP2.80
Rot. Bonds

About 3,5-dichloro-2-(trifluoromethyl)pyrazine

3,5-dichloro-2-(trifluoromethyl)pyrazine (PubChem CID 46847209) has the molecular formula C5HCl2F3N2 and a molecular weight of 216.98 g/mol. Its IUPAC name is 3,5-dichloro-2-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name3,5-dichloro-2-(trifluoromethyl)pyrazine
PubChem CID46847209
Molecular FormulaC5HCl2F3N2
Molecular Weight216.98 g/mol
Exact Mass215.95
IUPAC Name3,5-dichloro-2-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1ncc(Cl)nc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1-11-3(4(7)12-2)5(8,9)10/h1H
InChIKeyQCACSMMTRREPJM-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.98
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(trifluoromethyl)pyrazine?
The IUPAC name of 3,5-dichloro-2-(trifluoromethyl)pyrazine (CID 46847209) is 3,5-dichloro-2-(trifluoromethyl)pyrazine.
What is the SMILES notation for 3,5-dichloro-2-(trifluoromethyl)pyrazine?
The canonical SMILES for 3,5-dichloro-2-(trifluoromethyl)pyrazine is FC(F)(F)c1ncc(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-2-(trifluoromethyl)pyrazine?
The InChIKey is QCACSMMTRREPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F3N2/c6-2-1-11-3(4(7)12-2)5(8,9)10/h1H.
What are the key properties of 3,5-dichloro-2-(trifluoromethyl)pyrazine?
3,5-dichloro-2-(trifluoromethyl)pyrazine has a molecular weight of 216.98 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(trifluoromethyl)pyrazine is sourced from PubChem (CID 46847209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).