3,4-dipyridin-4-ylbenzaldehyde

C17H12N2O — CID 46316389

IUPAC3,4-dipyridin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccncc2)c(-c2ccncc2)c1
InChIInChI=1S/C17H12N2O/c20-12-13-1-2-16(14-3-7-18-8-4-14)17(11-13)15-5-9-19-10-6-15/h1-12H
InChIKeyWLMHAIJPDSZGHV-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.62
Rot. Bonds3

About 3,4-dipyridin-4-ylbenzaldehyde

3,4-dipyridin-4-ylbenzaldehyde (PubChem CID 46316389) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3,4-dipyridin-4-ylbenzaldehyde.

Molecular Properties

Compound Name3,4-dipyridin-4-ylbenzaldehyde
PubChem CID46316389
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name3,4-dipyridin-4-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccncc2)c(-c2ccncc2)c1
InChIInChI=1S/C17H12N2O/c20-12-13-1-2-16(14-3-7-18-8-4-14)17(11-13)15-5-9-19-10-6-15/h1-12H
InChIKeyWLMHAIJPDSZGHV-UHFFFAOYSA-N
XLogP3.62
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.62
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 3,4-dipyridin-4-ylbenzaldehyde?
The IUPAC name of 3,4-dipyridin-4-ylbenzaldehyde (CID 46316389) is 3,4-dipyridin-4-ylbenzaldehyde.
What is the SMILES notation for 3,4-dipyridin-4-ylbenzaldehyde?
The canonical SMILES for 3,4-dipyridin-4-ylbenzaldehyde is O=Cc1ccc(-c2ccncc2)c(-c2ccncc2)c1.
What is the InChIKey of 3,4-dipyridin-4-ylbenzaldehyde?
The InChIKey is WLMHAIJPDSZGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c20-12-13-1-2-16(14-3-7-18-8-4-14)17(11-13)15-5-9-19-10-6-15/h1-12H.
What are the key properties of 3,4-dipyridin-4-ylbenzaldehyde?
3,4-dipyridin-4-ylbenzaldehyde has a molecular weight of 260.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipyridin-4-ylbenzaldehyde is sourced from PubChem (CID 46316389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).