methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate

C13H12N2O3 — CID 167450731

IUPACmethyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2cccc(OC)c2)n1
InChIInChI=1S/C13H12N2O3/c1-17-10-5-3-4-9(6-10)11-7-14-8-12(15-11)13(16)18-2/h3-8H,1-2H3
InChIKeyYKWLGOQMBLKDOF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.94
Rot. Bonds3

About methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate

methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate (PubChem CID 167450731) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
PubChem CID167450731
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(-c2cccc(OC)c2)n1
InChIInChI=1S/C13H12N2O3/c1-17-10-5-3-4-9(6-10)11-7-14-8-12(15-11)13(16)18-2/h3-8H,1-2H3
InChIKeyYKWLGOQMBLKDOF-UHFFFAOYSA-N
XLogP1.94
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
CID 66457667
methyl 6-[4-methoxy-2-(trifluoromethyl)phenyl]pyrazine-2-carboxylate
CID 167450835
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 146347015
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
6-(3-phenylphenyl)pyrazine-2-carboxylic acid
CID 58774790
methyl 4-chloro-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169042
2,4-dimethoxy-5-[6-(3-methoxyphenyl)pyrazin-2-yl]pyrimidine
CID 126473814
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate (CID 167450731) is methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate is COC(=O)c1cncc(-c2cccc(OC)c2)n1.
What is the InChIKey of methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate?
The InChIKey is YKWLGOQMBLKDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-10-5-3-4-9(6-10)11-7-14-8-12(15-11)13(16)18-2/h3-8H,1-2H3.
What are the key properties of methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate?
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 167450731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).