5-hydroxypyridine-3-carbaldehyde

C6H5NO2 — CID 46911837

IUPAC5-hydroxypyridine-3-carbaldehyde
SMILESO=Cc1cncc(O)c1
InChIInChI=1S/C6H5NO2/c8-4-5-1-6(9)3-7-2-5/h1-4,9H
InChIKeyLMCXPBAARDWGRD-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.60
Rot. Bonds1

About 5-hydroxypyridine-3-carbaldehyde

5-hydroxypyridine-3-carbaldehyde (PubChem CID 46911837) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 5-hydroxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxypyridine-3-carbaldehyde
PubChem CID46911837
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name5-hydroxypyridine-3-carbaldehyde
SMILESO=Cc1cncc(O)c1
InChIInChI=1S/C6H5NO2/c8-4-5-1-6(9)3-7-2-5/h1-4,9H
InChIKeyLMCXPBAARDWGRD-UHFFFAOYSA-N
XLogP0.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxypyridine-3-carbaldehyde 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 5-hydroxypyridine-3-carbaldehyde?
The IUPAC name of 5-hydroxypyridine-3-carbaldehyde (CID 46911837) is 5-hydroxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-hydroxypyridine-3-carbaldehyde?
The canonical SMILES for 5-hydroxypyridine-3-carbaldehyde is O=Cc1cncc(O)c1.
What is the InChIKey of 5-hydroxypyridine-3-carbaldehyde?
The InChIKey is LMCXPBAARDWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-4-5-1-6(9)3-7-2-5/h1-4,9H.
What are the key properties of 5-hydroxypyridine-3-carbaldehyde?
5-hydroxypyridine-3-carbaldehyde has a molecular weight of 123.11 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypyridine-3-carbaldehyde is sourced from PubChem (CID 46911837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).