5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine

C₁₆H₁₁BrClNO — CID 63480626

About 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine

5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine (PubChem CID 63480626) has the molecular formula C₁₆H₁₁BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine.

Molecular Properties

• Compound Name: 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
• PubChem CID: 63480626
• Molecular Formula: C₁₆H₁₁BrClNO
• Molecular Weight: 348.63 g/mol
• Exact Mass: 346.97
• IUPAC Name: 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
• SMILES: Clc1ccc(COc2ccc3ccccc3c2Br)cn1
• InChI: InChI=1S/C16H11BrClNO/c17-16-13-4-2-1-3-12(13)6-7-14(16)20-10-11-5-8-15(18)19-9-11/h1-9H,10H2
• InChIKey: IBCLSVHAXLBLFM-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.63
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?

The IUPAC name of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine (CID 63480626) is 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine.

What is the SMILES notation for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?

The canonical SMILES for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine is Clc1ccc(COc2ccc3ccccc3c2Br)cn1.

What is the InChIKey of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?

The InChIKey is IBCLSVHAXLBLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-16-13-4-2-1-3-12(13)6-7-14(16)20-10-11-5-8-15(18)19-9-11/h1-9H,10H2.

What are the key properties of 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine?

5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine has a molecular weight of 348.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine is sourced from PubChem (CID 63480626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63480626 — identifiers, structure, computed properties (public domain)

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