methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate

C13H12N2O5S — CID 66458474

IUPACmethyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H12N2O5S/c1-19-13(16)11-7-14-8-12(15-11)20-9-3-5-10(6-4-9)21(2,17)18/h3-8H,1-2H3
InChIKeyLJUOITUVZVNLRA-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.46
Rot. Bonds4

About methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate

methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate (PubChem CID 66458474) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
PubChem CID66458474
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Namemethyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H12N2O5S/c1-19-13(16)11-7-14-8-12(15-11)20-9-3-5-10(6-4-9)21(2,17)18/h3-8H,1-2H3
InChIKeyLJUOITUVZVNLRA-UHFFFAOYSA-N
XLogP1.46
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
CID 66455917
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
methyl 6-[2-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 66457666
methyl 6-(2-chloro-4-methylphenoxy)pyrazine-2-carboxylate
CID 66457109
methyl 6-(4-amino-2-chlorophenoxy)pyrazine-2-carboxylate
CID 66457333
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 63850017
methyl 6-chlorosulfonylpyrazine-2-carboxylate
CID 66456417

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate (CID 66458474) is methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate?
The InChIKey is LJUOITUVZVNLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-19-13(16)11-7-14-8-12(15-11)20-9-3-5-10(6-4-9)21(2,17)18/h3-8H,1-2H3.
What are the key properties of methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate?
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate has a molecular weight of 308.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66458474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).