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

C16H20N2O4 — CID 167450563

IUPACethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCC.CCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14N2O4.C2H6/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2;1-2/h4-8,17H,3H2,1-2H3;1-2H3
InChIKeySPGHGCPBRTZWCX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.06
Rot. Bonds4

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

ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate (PubChem CID 167450563) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
PubChem CID167450563
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nameethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
SMILESCC.CCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H14N2O4.C2H6/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2;1-2/h4-8,17H,3H2,1-2H3;1-2H3
InChIKeySPGHGCPBRTZWCX-UHFFFAOYSA-N
XLogP3.06
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate
CID 167450564
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
6-(2-butoxy-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 77091431
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450798
4-(2,4-dimethoxyphenyl)-3-ethoxyphenol
CID 54469913
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(3-fluoro-5-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450863
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate (CID 167450563) is ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate is CC.CCOc1cc(O)ccc1-c1cncc(C(=O)OC)n1.
What is the InChIKey of ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
The InChIKey is SPGHGCPBRTZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4.C2H6/c1-3-20-13-6-9(17)4-5-10(13)11-7-15-8-12(16-11)14(18)19-2;1-2/h4-8,17H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate?
ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-(2-ethoxy-4-hydroxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 167450563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).