ethyl 5-ethoxypyrazine-2-carboxylate

C9H12N2O3 — CID 66869685

IUPACethyl 5-ethoxypyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(OCC)cn1
InChIInChI=1S/C9H12N2O3/c1-3-13-8-6-10-7(5-11-8)9(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyBAZQNLGMKSJRSN-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.05
Rot. Bonds4

About ethyl 5-ethoxypyrazine-2-carboxylate

ethyl 5-ethoxypyrazine-2-carboxylate (PubChem CID 66869685) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is ethyl 5-ethoxypyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxypyrazine-2-carboxylate
PubChem CID66869685
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameethyl 5-ethoxypyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(OCC)cn1
InChIInChI=1S/C9H12N2O3/c1-3-13-8-6-10-7(5-11-8)9(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyBAZQNLGMKSJRSN-UHFFFAOYSA-N
XLogP1.05
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxypyrazine-2-carboxylate?
The IUPAC name of ethyl 5-ethoxypyrazine-2-carboxylate (CID 66869685) is ethyl 5-ethoxypyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-ethoxypyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-ethoxypyrazine-2-carboxylate is CCOC(=O)c1cnc(OCC)cn1.
What is the InChIKey of ethyl 5-ethoxypyrazine-2-carboxylate?
The InChIKey is BAZQNLGMKSJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-13-8-6-10-7(5-11-8)9(12)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 5-ethoxypyrazine-2-carboxylate?
ethyl 5-ethoxypyrazine-2-carboxylate has a molecular weight of 196.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxypyrazine-2-carboxylate is sourced from PubChem (CID 66869685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).