methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate

C8H7F3N2O2S — CID 132515896

IUPACmethyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SCC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-15-7(14)5-2-12-3-6(13-5)16-4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyZCSZVPIQSUGZAP-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.92
Rot. Bonds3

About methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate

methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate (PubChem CID 132515896) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
PubChem CID132515896
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Namemethyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(SCC(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2S/c1-15-7(14)5-2-12-3-6(13-5)16-4-8(9,10)11/h2-3H,4H2,1H3
InChIKeyZCSZVPIQSUGZAP-UHFFFAOYSA-N
XLogP1.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate 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 methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate (CID 132515896) is methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate is COC(=O)c1cncc(SCC(F)(F)F)n1.
What is the InChIKey of methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate?
The InChIKey is ZCSZVPIQSUGZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-15-7(14)5-2-12-3-6(13-5)16-4-8(9,10)11/h2-3H,4H2,1H3.
What are the key properties of methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate?
methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate has a molecular weight of 252.22 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2,2-trifluoroethylsulfanyl)pyrazine-2-carboxylate is sourced from PubChem (CID 132515896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).