3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine

C₂₀H₁₉ClN₂O₂ — CID 158031170

About 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine

3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine (PubChem CID 158031170) has the molecular formula C₂₀H₁₉ClN₂O₂ and a molecular weight of 354.84 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine
• PubChem CID: 158031170
• Molecular Formula: C₂₀H₁₉ClN₂O₂
• Molecular Weight: 354.84 g/mol
• Exact Mass: 354.11
• IUPAC Name: 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine
• SMILES: COCCOc1cc(-c2cncc(-c3ccc(C)cc3Cl)c2)ccn1
• InChI: InChI=1S/C20H19ClN2O2/c1-14-3-4-18(19(21)9-14)17-10-16(12-22-13-17)15-5-6-23-20(11-15)25-8-7-24-2/h3-6,9-13H,7-8H2,1-2H3
• InChIKey: HSFKDAQNPGMRDM-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.84
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?

The IUPAC name of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine (CID 158031170) is 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine.

What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?

The canonical SMILES for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine is COCCOc1cc(-c2cncc(-c3ccc(C)cc3Cl)c2)ccn1.

What is the InChIKey of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?

The InChIKey is HSFKDAQNPGMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-14-3-4-18(19(21)9-14)17-10-16(12-22-13-17)15-5-6-23-20(11-15)25-8-7-24-2/h3-6,9-13H,7-8H2,1-2H3.

What are the key properties of 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine?

3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine has a molecular weight of 354.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-methylphenyl)-5-[2-(2-methoxyethoxy)-4-pyridinyl]pyridine is sourced from PubChem (CID 158031170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158031170 — identifiers, structure, computed properties (public domain)

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