5-ethoxy-6-methylpyrazine-2-carboxylic acid

C8H10N2O3 — CID 170068148

IUPAC5-ethoxy-6-methylpyrazine-2-carboxylic acid
SMILESCCOc1ncc(C(=O)O)nc1C
InChIInChI=1S/C8H10N2O3/c1-3-13-7-5(2)10-6(4-9-7)8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRCUDMQLWYQHYMD-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.88
Rot. Bonds3

About 5-ethoxy-6-methylpyrazine-2-carboxylic acid

5-ethoxy-6-methylpyrazine-2-carboxylic acid (PubChem CID 170068148) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-ethoxy-6-methylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-6-methylpyrazine-2-carboxylic acid
PubChem CID170068148
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-ethoxy-6-methylpyrazine-2-carboxylic acid
SMILESCCOc1ncc(C(=O)O)nc1C
InChIInChI=1S/C8H10N2O3/c1-3-13-7-5(2)10-6(4-9-7)8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyRCUDMQLWYQHYMD-UHFFFAOYSA-N
XLogP0.88
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methylpyrazine-2-carboxylic acid?
The IUPAC name of 5-ethoxy-6-methylpyrazine-2-carboxylic acid (CID 170068148) is 5-ethoxy-6-methylpyrazine-2-carboxylic acid.
What is the SMILES notation for 5-ethoxy-6-methylpyrazine-2-carboxylic acid?
The canonical SMILES for 5-ethoxy-6-methylpyrazine-2-carboxylic acid is CCOc1ncc(C(=O)O)nc1C.
What is the InChIKey of 5-ethoxy-6-methylpyrazine-2-carboxylic acid?
The InChIKey is RCUDMQLWYQHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-7-5(2)10-6(4-9-7)8(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-ethoxy-6-methylpyrazine-2-carboxylic acid?
5-ethoxy-6-methylpyrazine-2-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methylpyrazine-2-carboxylic acid is sourced from PubChem (CID 170068148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).