methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate

C9H7N3O4 — CID 127052272

IUPACmethyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C9H7N3O4/c1-16-9(15)4-2-5-6(10-3-4)12-8(14)7(13)11-5/h2-3H,1H3,(H,11,13)(H,10,12,14)
InChIKeyWTDANEACQGIANU-UHFFFAOYSA-N
MW221.17 g/mol
LogP-0.60
Rot. Bonds1

About methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate

methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 127052272) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID127052272
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Namemethyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1cnc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C9H7N3O4/c1-16-9(15)4-2-5-6(10-3-4)12-8(14)7(13)11-5/h2-3H,1H3,(H,11,13)(H,10,12,14)
InChIKeyWTDANEACQGIANU-UHFFFAOYSA-N
XLogP-0.60
TPSA104.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate (CID 127052272) is methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate is COC(=O)c1cnc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is WTDANEACQGIANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-16-9(15)4-2-5-6(10-3-4)12-8(14)7(13)11-5/h2-3H,1H3,(H,11,13)(H,10,12,14).
What are the key properties of methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate?
methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 221.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 127052272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).