7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid

C14H10N2O5 — CID 22112802

IUPAC7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2cc(-c3ccc[n+]([O-])c3)oc12
InChIInChI=1S/C14H10N2O5/c1-20-13-12-9(10(6-15-13)14(17)18)5-11(21-12)8-3-2-4-16(19)7-8/h2-7H,1H3,(H,17,18)
InChIKeyVZZXWXHEFJPPOV-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.84
Rot. Bonds3

About 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid

7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid (PubChem CID 22112802) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid
PubChem CID22112802
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2cc(-c3ccc[n+]([O-])c3)oc12
InChIInChI=1S/C14H10N2O5/c1-20-13-12-9(10(6-15-13)14(17)18)5-11(21-12)8-3-2-4-16(19)7-8/h2-7H,1H3,(H,17,18)
InChIKeyVZZXWXHEFJPPOV-UHFFFAOYSA-N
XLogP1.84
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-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 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid (CID 22112802) is 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid is COc1ncc(C(=O)O)c2cc(-c3ccc[n+]([O-])c3)oc12.
What is the InChIKey of 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid?
The InChIKey is VZZXWXHEFJPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c1-20-13-12-9(10(6-15-13)14(17)18)5-11(21-12)8-3-2-4-16(19)7-8/h2-7H,1H3,(H,17,18).
What are the key properties of 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid?
7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1-oxidopyridin-1-ium-3-yl)furo[2,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 22112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).