methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate

C14H14N2O4 — CID 167450564

IUPACmethyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14N2O4/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2/h4-8,17H,3H2,1-2H3
InChIKeyOJLJEXSRDRALMF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.03
Rot. Bonds4

About methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate

methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate (PubChem CID 167450564) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
PubChem CID167450564
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14N2O4/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2/h4-8,17H,3H2,1-2H3
InChIKeyOJLJEXSRDRALMF-UHFFFAOYSA-N
XLogP2.03
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate (CID 167450564) is methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate is CCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The InChIKey is OJLJEXSRDRALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2/h4-8,17H,3H2,1-2H3.
What are the key properties of methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 167450564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).