1-benzyl-6-oxopyridine-3-carbaldehyde

C13H11NO2 — CID 23240891

IUPAC1-benzyl-6-oxopyridine-3-carbaldehyde
SMILESO=Cc1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyMKHBOQOXDMXDRG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.71
Rot. Bonds3

About 1-benzyl-6-oxopyridine-3-carbaldehyde

1-benzyl-6-oxopyridine-3-carbaldehyde (PubChem CID 23240891) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-benzyl-6-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-6-oxopyridine-3-carbaldehyde
PubChem CID23240891
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name1-benzyl-6-oxopyridine-3-carbaldehyde
SMILESO=Cc1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C13H11NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyMKHBOQOXDMXDRG-UHFFFAOYSA-N
XLogP1.71
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 1-benzyl-6-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-benzyl-6-oxopyridine-3-carbaldehyde (CID 23240891) is 1-benzyl-6-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-6-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-benzyl-6-oxopyridine-3-carbaldehyde is O=Cc1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-6-oxopyridine-3-carbaldehyde?
The InChIKey is MKHBOQOXDMXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-10-12-6-7-13(16)14(9-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 1-benzyl-6-oxopyridine-3-carbaldehyde?
1-benzyl-6-oxopyridine-3-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 23240891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).