2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde

C17H11ClN2O — CID 58038233

IUPAC2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C17H11ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-11H
InChIKeyVHARPVMEXNBZDY-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.28
Rot. Bonds3

About 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde

2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde (PubChem CID 58038233) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
PubChem CID58038233
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde
SMILESO=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C17H11ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-11H
InChIKeyVHARPVMEXNBZDY-UHFFFAOYSA-N
XLogP4.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde (CID 58038233) is 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde is O=Cc1ccc(-c2cccc(-c3ccccn3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
The InChIKey is VHARPVMEXNBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-14-10-12(7-8-13(14)11-21)15-5-3-6-17(20-15)16-4-1-2-9-19-16/h1-11H.
What are the key properties of 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde?
2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde has a molecular weight of 294.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-pyridin-2-yl-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 58038233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).