3,5-dipyridin-4-ylpyridine-2-carbaldehyde

C16H11N3O — CID 131869593

IUPAC3,5-dipyridin-4-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C16H11N3O/c20-11-16-15(13-3-7-18-8-4-13)9-14(10-19-16)12-1-5-17-6-2-12/h1-11H
InChIKeyFBBQRHIISZENLW-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.02
Rot. Bonds3

About 3,5-dipyridin-4-ylpyridine-2-carbaldehyde

3,5-dipyridin-4-ylpyridine-2-carbaldehyde (PubChem CID 131869593) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3,5-dipyridin-4-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,5-dipyridin-4-ylpyridine-2-carbaldehyde
PubChem CID131869593
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3,5-dipyridin-4-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccncc2)cc1-c1ccncc1
InChIInChI=1S/C16H11N3O/c20-11-16-15(13-3-7-18-8-4-13)9-14(10-19-16)12-1-5-17-6-2-12/h1-11H
InChIKeyFBBQRHIISZENLW-UHFFFAOYSA-N
XLogP3.02
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-4-ylpyridine-2-carbaldehyde?
The IUPAC name of 3,5-dipyridin-4-ylpyridine-2-carbaldehyde (CID 131869593) is 3,5-dipyridin-4-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 3,5-dipyridin-4-ylpyridine-2-carbaldehyde?
The canonical SMILES for 3,5-dipyridin-4-ylpyridine-2-carbaldehyde is O=Cc1ncc(-c2ccncc2)cc1-c1ccncc1.
What is the InChIKey of 3,5-dipyridin-4-ylpyridine-2-carbaldehyde?
The InChIKey is FBBQRHIISZENLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-11-16-15(13-3-7-18-8-4-13)9-14(10-19-16)12-1-5-17-6-2-12/h1-11H.
What are the key properties of 3,5-dipyridin-4-ylpyridine-2-carbaldehyde?
3,5-dipyridin-4-ylpyridine-2-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-4-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 131869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).