methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate

C12H9FN2O2S — CID 66450963

IUPACmethyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O2S/c1-17-12(16)9-6-14-7-11(15-9)18-10-5-3-2-4-8(10)13/h2-7H,1H3
InChIKeyYEGWRCCMCJIKGF-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.55
Rot. Bonds3

About methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate

methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate (PubChem CID 66450963) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate
PubChem CID66450963
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Namemethyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O2S/c1-17-12(16)9-6-14-7-11(15-9)18-10-5-3-2-4-8(10)13/h2-7H,1H3
InChIKeyYEGWRCCMCJIKGF-UHFFFAOYSA-N
XLogP2.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate (CID 66450963) is methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate is COC(=O)c1cncc(Sc2ccccc2F)n1.
What is the InChIKey of methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate?
The InChIKey is YEGWRCCMCJIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c1-17-12(16)9-6-14-7-11(15-9)18-10-5-3-2-4-8(10)13/h2-7H,1H3.
What are the key properties of methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate?
methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorophenyl)sulfanylpyrazine-2-carboxylate is sourced from PubChem (CID 66450963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).