(2,6-dimethoxyphenyl) pyrazine-2-carboxylate

C13H12N2O4 — CID 2443337

IUPAC(2,6-dimethoxyphenyl) pyrazine-2-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cnccn1
InChIInChI=1S/C13H12N2O4/c1-17-10-4-3-5-11(18-2)12(10)19-13(16)9-8-14-6-7-15-9/h3-8H,1-2H3
InChIKeyWHPNONWAAYNRKW-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.71
Rot. Bonds4

About (2,6-dimethoxyphenyl) pyrazine-2-carboxylate

(2,6-dimethoxyphenyl) pyrazine-2-carboxylate (PubChem CID 2443337) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) pyrazine-2-carboxylate
PubChem CID2443337
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(2,6-dimethoxyphenyl) pyrazine-2-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cnccn1
InChIInChI=1S/C13H12N2O4/c1-17-10-4-3-5-11(18-2)12(10)19-13(16)9-8-14-6-7-15-9/h3-8H,1-2H3
InChIKeyWHPNONWAAYNRKW-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) pyrazine-2-carboxylate?
The IUPAC name of (2,6-dimethoxyphenyl) pyrazine-2-carboxylate (CID 2443337) is (2,6-dimethoxyphenyl) pyrazine-2-carboxylate.
What is the SMILES notation for (2,6-dimethoxyphenyl) pyrazine-2-carboxylate?
The canonical SMILES for (2,6-dimethoxyphenyl) pyrazine-2-carboxylate is COc1cccc(OC)c1OC(=O)c1cnccn1.
What is the InChIKey of (2,6-dimethoxyphenyl) pyrazine-2-carboxylate?
The InChIKey is WHPNONWAAYNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-17-10-4-3-5-11(18-2)12(10)19-13(16)9-8-14-6-7-15-9/h3-8H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl) pyrazine-2-carboxylate?
(2,6-dimethoxyphenyl) pyrazine-2-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) pyrazine-2-carboxylate is sourced from PubChem (CID 2443337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).