methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate

C9H10N2O3 — CID 176833595

IUPACmethyl 6-ethenyl-3-methoxypyrazine-2-carboxylate
SMILESC=Cc1cnc(OC)c(C(=O)OC)n1
InChIInChI=1S/C9H10N2O3/c1-4-6-5-10-8(13-2)7(11-6)9(12)14-3/h4-5H,1H2,2-3H3
InChIKeyIFRZFIJSYKMGTL-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.91
Rot. Bonds3

About methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate

methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate (PubChem CID 176833595) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethenyl-3-methoxypyrazine-2-carboxylate
PubChem CID176833595
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 6-ethenyl-3-methoxypyrazine-2-carboxylate
SMILESC=Cc1cnc(OC)c(C(=O)OC)n1
InChIInChI=1S/C9H10N2O3/c1-4-6-5-10-8(13-2)7(11-6)9(12)14-3/h4-5H,1H2,2-3H3
InChIKeyIFRZFIJSYKMGTL-UHFFFAOYSA-N
XLogP0.91
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethenyl-2,3-dimethoxypyrazine
CID 163871924
methyl 3-amino-6-(4-amino-4-oxobut-1-enyl)pyrazine-2-carboxylate
CID 170798601
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
methyl 6-(3-acetylsulfanylprop-1-enyl)-3-aminopyrazine-2-carboxylate
CID 169457903
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 3-chloro-2-methoxy-5-methylpyridine-4-carboxylate
CID 178117640
(3-methoxypyrazin-2-yl)-pyrazin-2-ylmethanone
CID 104514868

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate?
The IUPAC name of methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate (CID 176833595) is methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate?
The canonical SMILES for methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate is C=Cc1cnc(OC)c(C(=O)OC)n1.
What is the InChIKey of methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate?
The InChIKey is IFRZFIJSYKMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-4-6-5-10-8(13-2)7(11-6)9(12)14-3/h4-5H,1H2,2-3H3.
What are the key properties of methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate?
methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethenyl-3-methoxypyrazine-2-carboxylate is sourced from PubChem (CID 176833595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).