2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine

C11H6ClF3N2S — CID 112559038

IUPAC2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine
SMILESFC(F)(F)Sc1ccc(-c2nccnc2Cl)cc1
InChIInChI=1S/C11H6ClF3N2S/c12-10-9(16-5-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyXHXVSYKMDJCRPO-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.41
Rot. Bonds2

About 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine

2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine (PubChem CID 112559038) has the molecular formula C11H6ClF3N2S and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine
PubChem CID112559038
Molecular FormulaC11H6ClF3N2S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine
SMILESFC(F)(F)Sc1ccc(-c2nccnc2Cl)cc1
InChIInChI=1S/C11H6ClF3N2S/c12-10-9(16-5-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H
InChIKeyXHXVSYKMDJCRPO-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine?
The IUPAC name of 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine (CID 112559038) is 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine.
What is the SMILES notation for 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine?
The canonical SMILES for 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine is FC(F)(F)Sc1ccc(-c2nccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine?
The InChIKey is XHXVSYKMDJCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2S/c12-10-9(16-5-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15/h1-6H.
What are the key properties of 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine?
2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine has a molecular weight of 290.70 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-(trifluoromethylsulfanyl)phenyl]pyrazine is sourced from PubChem (CID 112559038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).