2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid

C10H8N2O4 — CID 142922608

IUPAC2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid
SMILESCNc1c(C=O)oc2ccc(C(=O)O)nc12
InChIInChI=1S/C10H8N2O4/c1-11-8-7(4-13)16-6-3-2-5(10(14)15)12-9(6)8/h2-4,11H,1H3,(H,14,15)
InChIKeyUQKRHYVSTWKXRT-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.38
Rot. Bonds3

About 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid

2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid (PubChem CID 142922608) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid
PubChem CID142922608
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid
SMILESCNc1c(C=O)oc2ccc(C(=O)O)nc12
InChIInChI=1S/C10H8N2O4/c1-11-8-7(4-13)16-6-3-2-5(10(14)15)12-9(6)8/h2-4,11H,1H3,(H,14,15)
InChIKeyUQKRHYVSTWKXRT-UHFFFAOYSA-N
XLogP1.38
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-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 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid (CID 142922608) is 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid is CNc1c(C=O)oc2ccc(C(=O)O)nc12.
What is the InChIKey of 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is UQKRHYVSTWKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-11-8-7(4-13)16-6-3-2-5(10(14)15)12-9(6)8/h2-4,11H,1H3,(H,14,15).
What are the key properties of 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid?
2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-(methylamino)furo[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 142922608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).