5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid

C8H3NO5 — CID 156761597

IUPAC5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)C(=O)OC2=O
InChIInChI=1S/C8H3NO5/c10-6(11)4-2-1-3-5(9-4)8(13)14-7(3)12/h1-2H,(H,10,11)
InChIKeyBMNRRPBQAKOJKL-UHFFFAOYSA-N
MW193.11 g/mol
LogP0.09
Rot. Bonds1

About 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid

5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid (PubChem CID 156761597) has the molecular formula C8H3NO5 and a molecular weight of 193.11 g/mol. Its IUPAC name is 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid
PubChem CID156761597
Molecular FormulaC8H3NO5
Molecular Weight193.11 g/mol
Exact Mass193.00
IUPAC Name5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc2c(n1)C(=O)OC2=O
InChIInChI=1S/C8H3NO5/c10-6(11)4-2-1-3-5(9-4)8(13)14-7(3)12/h1-2H,(H,10,11)
InChIKeyBMNRRPBQAKOJKL-UHFFFAOYSA-N
XLogP0.09
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid?
The IUPAC name of 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid (CID 156761597) is 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid is O=C(O)c1ccc2c(n1)C(=O)OC2=O.
What is the InChIKey of 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid?
The InChIKey is BMNRRPBQAKOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3NO5/c10-6(11)4-2-1-3-5(9-4)8(13)14-7(3)12/h1-2H,(H,10,11).
What are the key properties of 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid?
5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid has a molecular weight of 193.11 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxofuro[3,4-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 156761597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).