4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C₁₆H₁₆ClNO₂ — CID 58373723

About 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 58373723) has the molecular formula C₁₆H₁₆ClNO₂ and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
• PubChem CID: 58373723
• Molecular Formula: C₁₆H₁₆ClNO₂
• Molecular Weight: 289.76 g/mol
• Exact Mass: 289.09
• IUPAC Name: 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
• SMILES: COc1ccc(-c2ccnc3c2CCC3)c(Cl)c1OC
• InChI: InChI=1S/C16H16ClNO2/c1-19-14-7-6-12(15(17)16(14)20-2)10-8-9-18-13-5-3-4-11(10)13/h6-9H,3-5H2,1-2H3
• InChIKey: CUXMIJPPTOTFEG-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.76
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 58373723) is 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

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

The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is COc1ccc(-c2ccnc3c2CCC3)c(Cl)c1OC.

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

The InChIKey is CUXMIJPPTOTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-19-14-7-6-12(15(17)16(14)20-2)10-8-9-18-13-5-3-4-11(10)13/h6-9H,3-5H2,1-2H3.

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

4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 289.76 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 58373723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58373723 — identifiers, structure, computed properties (public domain)

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