4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde

C8H5NO3 — CID 13090143

IUPAC4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(=O)[nH]ccc2o1
InChIInChI=1S/C8H5NO3/c10-4-5-3-6-7(12-5)1-2-9-8(6)11/h1-4H,(H,9,11)
InChIKeyKJGUFTKAHLKJTJ-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.93
Rot. Bonds1

About 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde

4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 13090143) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde
PubChem CID13090143
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(=O)[nH]ccc2o1
InChIInChI=1S/C8H5NO3/c10-4-5-3-6-7(12-5)1-2-9-8(6)11/h1-4H,(H,9,11)
InChIKeyKJGUFTKAHLKJTJ-UHFFFAOYSA-N
XLogP0.93
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde (CID 13090143) is 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde is O=Cc1cc2c(=O)[nH]ccc2o1.
What is the InChIKey of 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is KJGUFTKAHLKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-4-5-3-6-7(12-5)1-2-9-8(6)11/h1-4H,(H,9,11).
What are the key properties of 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde?
4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 163.13 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 13090143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).