2-chloro-5-(trifluoromethoxy)pyrazine

C5H2ClF3N2O — CID 119030527

IUPAC2-chloro-5-(trifluoromethoxy)pyrazine
SMILESFC(F)(F)Oc1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H
InChIKeyICXFWEHIUZEZEK-UHFFFAOYSA-N
MW198.53 g/mol
LogP2.03
Rot. Bonds1

About 2-chloro-5-(trifluoromethoxy)pyrazine

2-chloro-5-(trifluoromethoxy)pyrazine (PubChem CID 119030527) has the molecular formula C5H2ClF3N2O and a molecular weight of 198.53 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethoxy)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethoxy)pyrazine
PubChem CID119030527
Molecular FormulaC5H2ClF3N2O
Molecular Weight198.53 g/mol
Exact Mass197.98
IUPAC Name2-chloro-5-(trifluoromethoxy)pyrazine
SMILESFC(F)(F)Oc1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H
InChIKeyICXFWEHIUZEZEK-UHFFFAOYSA-N
XLogP2.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethoxy)pyrazine?
The IUPAC name of 2-chloro-5-(trifluoromethoxy)pyrazine (CID 119030527) is 2-chloro-5-(trifluoromethoxy)pyrazine.
What is the SMILES notation for 2-chloro-5-(trifluoromethoxy)pyrazine?
The canonical SMILES for 2-chloro-5-(trifluoromethoxy)pyrazine is FC(F)(F)Oc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(trifluoromethoxy)pyrazine?
The InChIKey is ICXFWEHIUZEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O/c6-3-1-11-4(2-10-3)12-5(7,8)9/h1-2H.
What are the key properties of 2-chloro-5-(trifluoromethoxy)pyrazine?
2-chloro-5-(trifluoromethoxy)pyrazine has a molecular weight of 198.53 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethoxy)pyrazine is sourced from PubChem (CID 119030527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).