2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde

C23H14Cl2N2O — CID 58037947

IUPAC2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H14Cl2N2O/c24-17-9-10-20(25)19(13-17)18-12-15(7-8-16(18)14-28)21-5-3-6-23(27-21)22-4-1-2-11-26-22/h1-14H
InChIKeyZLTCYQONGVWAIM-UHFFFAOYSA-N
MW405.28 g/mol
LogP6.60
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde

2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde (PubChem CID 58037947) has the molecular formula C23H14Cl2N2O and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
PubChem CID58037947
Molecular FormulaC23H14Cl2N2O
Molecular Weight405.28 g/mol
Exact Mass404.05
IUPAC Name2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H14Cl2N2O/c24-17-9-10-20(25)19(13-17)18-12-15(7-8-16(18)14-28)21-5-3-6-23(27-21)22-4-1-2-11-26-22/h1-14H
InChIKeyZLTCYQONGVWAIM-UHFFFAOYSA-N
XLogP6.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 56.60
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 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde (CID 58037947) is 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde is O=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The InChIKey is ZLTCYQONGVWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O/c24-17-9-10-20(25)19(13-17)18-12-15(7-8-16(18)14-28)21-5-3-6-23(27-21)22-4-1-2-11-26-22/h1-14H.
What are the key properties of 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde has a molecular weight of 405.28 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 58037947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).