8-oxopyrano[3,4-b]pyridine-6-carboxylic acid

C9H5NO4 — CID 122714827

IUPAC8-oxopyrano[3,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2cccnc2c(=O)o1
InChIInChI=1S/C9H5NO4/c11-8(12)6-4-5-2-1-3-10-7(5)9(13)14-6/h1-4H,(H,11,12)
InChIKeyYJIUZCRJXDMVST-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.89
Rot. Bonds1

About 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid

8-oxopyrano[3,4-b]pyridine-6-carboxylic acid (PubChem CID 122714827) has the molecular formula C9H5NO4 and a molecular weight of 191.14 g/mol. Its IUPAC name is 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-oxopyrano[3,4-b]pyridine-6-carboxylic acid
PubChem CID122714827
Molecular FormulaC9H5NO4
Molecular Weight191.14 g/mol
Exact Mass191.02
IUPAC Name8-oxopyrano[3,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2cccnc2c(=O)o1
InChIInChI=1S/C9H5NO4/c11-8(12)6-4-5-2-1-3-10-7(5)9(13)14-6/h1-4H,(H,11,12)
InChIKeyYJIUZCRJXDMVST-UHFFFAOYSA-N
XLogP0.89
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid (CID 122714827) is 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc2cccnc2c(=O)o1.
What is the InChIKey of 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is YJIUZCRJXDMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO4/c11-8(12)6-4-5-2-1-3-10-7(5)9(13)14-6/h1-4H,(H,11,12).
What are the key properties of 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid?
8-oxopyrano[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 191.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxopyrano[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 122714827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).