4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde

C13H11NO2 — CID 88707556

IUPAC4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2ncccc2O)cc1
InChIInChI=1S/C13H11NO2/c15-9-11-5-3-10(4-6-11)8-12-13(16)2-1-7-14-12/h1-7,9,16H,8H2
InChIKeyGJWHXYOINPMOFG-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.19
Rot. Bonds3

About 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde

4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde (PubChem CID 88707556) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde
PubChem CID88707556
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde
SMILESO=Cc1ccc(Cc2ncccc2O)cc1
InChIInChI=1S/C13H11NO2/c15-9-11-5-3-10(4-6-11)8-12-13(16)2-1-7-14-12/h1-7,9,16H,8H2
InChIKeyGJWHXYOINPMOFG-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.19
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-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde?
The IUPAC name of 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde (CID 88707556) is 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde?
The canonical SMILES for 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde is O=Cc1ccc(Cc2ncccc2O)cc1.
What is the InChIKey of 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde?
The InChIKey is GJWHXYOINPMOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-9-11-5-3-10(4-6-11)8-12-13(16)2-1-7-14-12/h1-7,9,16H,8H2.
What are the key properties of 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde?
4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-pyridinyl)methyl]benzaldehyde is sourced from PubChem (CID 88707556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).