2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine

C11H6ClF3N2S — CID 169108037

IUPAC2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
SMILESFC(F)(F)c1ccc(Sc2nccnc2Cl)cc1
InChIInChI=1S/C11H6ClF3N2S/c12-9-10(17-6-5-16-9)18-8-3-1-7(2-4-8)11(13,14)15/h1-6H
InChIKeyAXXVCVUCUSTWGX-UHFFFAOYSA-N
MW290.70 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine

2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine (PubChem CID 169108037) has the molecular formula C11H6ClF3N2S and a molecular weight of 290.70 g/mol. Its IUPAC name is 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
PubChem CID169108037
Molecular FormulaC11H6ClF3N2S
Molecular Weight290.70 g/mol
Exact Mass289.99
IUPAC Name2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
SMILESFC(F)(F)c1ccc(Sc2nccnc2Cl)cc1
InChIInChI=1S/C11H6ClF3N2S/c12-9-10(17-6-5-16-9)18-8-3-1-7(2-4-8)11(13,14)15/h1-6H
InChIKeyAXXVCVUCUSTWGX-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The IUPAC name of 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine (CID 169108037) is 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine.
What is the SMILES notation for 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The canonical SMILES for 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine is FC(F)(F)c1ccc(Sc2nccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The InChIKey is AXXVCVUCUSTWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2S/c12-9-10(17-6-5-16-9)18-8-3-1-7(2-4-8)11(13,14)15/h1-6H.
What are the key properties of 2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
2-chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine has a molecular weight of 290.70 g/mol, XLogP of 4.30, 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-(trifluoromethyl)phenyl]sulfanylpyrazine is sourced from PubChem (CID 169108037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).