3-hydroxypyridine-2-carbaldehyde

C6H5NO2 — CID 2737332

IUPAC3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncccc1O
InChIInChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H
InChIKeyICDSWZBXIZCMHR-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.60
Rot. Bonds1

About 3-hydroxypyridine-2-carbaldehyde

3-hydroxypyridine-2-carbaldehyde (PubChem CID 2737332) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 3-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxypyridine-2-carbaldehyde
PubChem CID2737332
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncccc1O
InChIInChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H
InChIKeyICDSWZBXIZCMHR-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 3-hydroxypyridine-2-carbaldehyde (CID 2737332) is 3-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 3-hydroxypyridine-2-carbaldehyde is O=Cc1ncccc1O.
What is the InChIKey of 3-hydroxypyridine-2-carbaldehyde?
The InChIKey is ICDSWZBXIZCMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-4-5-6(9)2-1-3-7-5/h1-4,9H.
What are the key properties of 3-hydroxypyridine-2-carbaldehyde?
3-hydroxypyridine-2-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 3-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 2737332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).