ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate

C10H9N3O3 — CID 16740433

IUPACethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2nccnc2c1=O
InChIInChI=1S/C10H9N3O3/c1-2-16-10(15)6-5-13-9-7(8(6)14)11-3-4-12-9/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyXDQQHLPMXGGFBI-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.49
Rot. Bonds2

About ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate

ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 16740433) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID16740433
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Nameethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2nccnc2c1=O
InChIInChI=1S/C10H9N3O3/c1-2-16-10(15)6-5-13-9-7(8(6)14)11-3-4-12-9/h3-5H,2H2,1H3,(H,12,13,14)
InChIKeyXDQQHLPMXGGFBI-UHFFFAOYSA-N
XLogP0.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate (CID 16740433) is ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1c[nH]c2nccnc2c1=O.
What is the InChIKey of ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is XDQQHLPMXGGFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-16-10(15)6-5-13-9-7(8(6)14)11-3-4-12-9/h3-5H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 16740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).