methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate

C9H12N2O4 — CID 141103984

IUPACmethyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
SMILESCOCCOc1nccnc1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-13-5-6-15-8-7(9(12)14-2)10-3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyPSDZIKRAOHZRSE-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.29
Rot. Bonds5

About methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate

methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate (PubChem CID 141103984) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
PubChem CID141103984
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Namemethyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate
SMILESCOCCOc1nccnc1C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-13-5-6-15-8-7(9(12)14-2)10-3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyPSDZIKRAOHZRSE-UHFFFAOYSA-N
XLogP0.29
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-fluoroethoxy)pyrazine-2-carboxylate
CID 118273108
3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carbothioamide
CID 103402515
3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
CID 62701891
methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
CID 141407596
methyl 3-prop-1-en-2-ylpyrazine-2-carboxylate
CID 167450839
methyl 3-pyridin-4-ylpyrazine-2-carboxylate
CID 163385858
N'-hydroxy-3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carboximidamide
CID 136816582
3-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylic acid
CID 106450331
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
1-(3-methoxypyrazin-2-yl)butane-1,3-dione
CID 55262325
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate (CID 141103984) is methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate is COCCOc1nccnc1C(=O)OC.
What is the InChIKey of methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate?
The InChIKey is PSDZIKRAOHZRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-13-5-6-15-8-7(9(12)14-2)10-3-4-11-8/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate?
methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate has a molecular weight of 212.21 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 141103984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).