4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde

C13H11NO2 — CID 3719149

IUPAC4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(CO)n2)cc1
InChIInChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2
InChIKeyRZHVETZHBRUIJF-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.05
Rot. Bonds3

About 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde

4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde (PubChem CID 3719149) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde
PubChem CID3719149
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2cccc(CO)n2)cc1
InChIInChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2
InChIKeyRZHVETZHBRUIJF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde?
The IUPAC name of 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde (CID 3719149) is 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde is O=Cc1ccc(-c2cccc(CO)n2)cc1.
What is the InChIKey of 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde?
The InChIKey is RZHVETZHBRUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-8-10-4-6-11(7-5-10)13-3-1-2-12(9-16)14-13/h1-8,16H,9H2.
What are the key properties of 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde?
4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 3719149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).