4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde

C24H16N2O2 — CID 11057589

IUPAC4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)cc4)cn3)nc2)cc1
InChIInChI=1S/C24H16N2O2/c27-15-17-1-5-19(6-2-17)21-9-11-23(25-13-21)24-12-10-22(14-26-24)20-7-3-18(16-28)4-8-20/h1-16H
InChIKeyQLLLGKNBECMUKU-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.10
Rot. Bonds5

About 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde

4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde (PubChem CID 11057589) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde
PubChem CID11057589
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)cc4)cn3)nc2)cc1
InChIInChI=1S/C24H16N2O2/c27-15-17-1-5-19(6-2-17)21-9-11-23(25-13-21)24-12-10-22(14-26-24)20-7-3-18(16-28)4-8-20/h1-16H
InChIKeyQLLLGKNBECMUKU-UHFFFAOYSA-N
XLogP5.10
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.10
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 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde?
The IUPAC name of 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde (CID 11057589) is 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C=O)cc4)cn3)nc2)cc1.
What is the InChIKey of 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde?
The InChIKey is QLLLGKNBECMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c27-15-17-1-5-19(6-2-17)21-9-11-23(25-13-21)24-12-10-22(14-26-24)20-7-3-18(16-28)4-8-20/h1-16H.
What are the key properties of 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde?
4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde has a molecular weight of 364.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-formylphenyl)-2-pyridinyl]-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 11057589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).