8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid

C12H11N3O5 — CID 122509831

IUPAC8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)C(=O)Oc1c(C(=O)O)c(=O)[nH]c2nccnc12
InChIInChI=1S/C12H11N3O5/c1-5(2)12(19)20-8-6(11(17)18)10(16)15-9-7(8)13-3-4-14-9/h3-5H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyXFPNUUWMGSHXHQ-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.58
Rot. Bonds3

About 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid

8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 122509831) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid
PubChem CID122509831
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid
SMILESCC(C)C(=O)Oc1c(C(=O)O)c(=O)[nH]c2nccnc12
InChIInChI=1S/C12H11N3O5/c1-5(2)12(19)20-8-6(11(17)18)10(16)15-9-7(8)13-3-4-14-9/h3-5H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyXFPNUUWMGSHXHQ-UHFFFAOYSA-N
XLogP0.58
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid (CID 122509831) is 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid is CC(C)C(=O)Oc1c(C(=O)O)c(=O)[nH]c2nccnc12.
What is the InChIKey of 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is XFPNUUWMGSHXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-5(2)12(19)20-8-6(11(17)18)10(16)15-9-7(8)13-3-4-14-9/h3-5H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid?
8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropanoyloxy)-6-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 122509831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).