2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C23H20ClN — CID 149020566

About 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine

2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 149020566) has the molecular formula C23H20ClN and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
• PubChem CID: 149020566
• Molecular Formula: C23H20ClN
• Molecular Weight: 345.87 g/mol
• Exact Mass: 345.13
• IUPAC Name: 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
• SMILES: C=Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
• InChI: InChI=1S/C23H20ClN/c1-2-16-9-11-17(12-10-16)13-19-15-23(18-5-3-6-20(24)14-18)25-22-8-4-7-21(19)22/h2-3,5-6,9-12,14-15H,1,4,7-8,13H2
• InChIKey: QDJQYBGABNQGIX-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	345.87
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?

The IUPAC name of 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 149020566) is 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

What is the SMILES notation for 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?

The canonical SMILES for 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is C=Cc1ccc(Cc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.

What is the InChIKey of 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?

The InChIKey is QDJQYBGABNQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN/c1-2-16-9-11-17(12-10-16)13-19-15-23(18-5-3-6-20(24)14-18)25-22-8-4-7-21(19)22/h2-3,5-6,9-12,14-15H,1,4,7-8,13H2.

What are the key properties of 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine?

2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 345.87 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-4-[(4-ethenylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 149020566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).