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

C13H12N2O4 — CID 66457667

IUPACmethyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C13H12N2O4/c1-17-9-4-3-5-10(6-9)19-12-8-14-7-11(15-12)13(16)18-2/h3-8H,1-2H3
InChIKeyRMIKZHHZTVOWQN-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.06
Rot. Bonds4

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

methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate (PubChem CID 66457667) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
PubChem CID66457667
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Oc2cccc(OC)c2)n1
InChIInChI=1S/C13H12N2O4/c1-17-9-4-3-5-10(6-9)19-12-8-14-7-11(15-12)13(16)18-2/h3-8H,1-2H3
InChIKeyRMIKZHHZTVOWQN-UHFFFAOYSA-N
XLogP2.06
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
methyl 6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carboxylate
CID 66455917
methyl 6-(4-methylsulfonylphenoxy)pyrazine-2-carboxylate
CID 66458474
methyl 6-(3-methyl-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66457692
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
6-(3-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 66457073
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 6-(2-methylsulfanylphenoxy)pyrazine-2-carboxylate
CID 66458680
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
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

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate (CID 66457667) is methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate is COC(=O)c1cncc(Oc2cccc(OC)c2)n1.
What is the InChIKey of methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate?
The InChIKey is RMIKZHHZTVOWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-17-9-4-3-5-10(6-9)19-12-8-14-7-11(15-12)13(16)18-2/h3-8H,1-2H3.
What are the key properties of methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate?
methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methoxyphenoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 66457667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).