4,6-Dichloroquinoline

C₉H₅Cl₂N — CID 936075

About 4,6-Dichloroquinoline

4,6-Dichloroquinoline (PubChem CID 936075) has the molecular formula C₉H₅Cl₂N and a molecular weight of 198.05 g/mol. Its IUPAC name is 4,6-dichloroquinoline.

Molecular Properties

• Compound Name: 4,6-Dichloroquinoline
• PubChem CID: 936075
• Molecular Formula: C₉H₅Cl₂N
• Molecular Weight: 198.05 g/mol
• Exact Mass: 196.98
• IUPAC Name: 4,6-dichloroquinoline
• SMILES: Clc1ccc2nccc(Cl)c2c1
• InChI: InChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
• InChIKey: JZGUMSTXLPEMFW-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.05
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4,6-Dichloroquinoline?

The IUPAC name of 4,6-Dichloroquinoline (CID 936075) is 4,6-dichloroquinoline.

What is the SMILES notation for 4,6-Dichloroquinoline?

The canonical SMILES for 4,6-Dichloroquinoline is Clc1ccc2nccc(Cl)c2c1.

What is the InChIKey of 4,6-Dichloroquinoline?

The InChIKey is JZGUMSTXLPEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H.

What are the key properties of 4,6-Dichloroquinoline?

4,6-Dichloroquinoline has a molecular weight of 198.05 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-Dichloroquinoline is sourced from PubChem (CID 936075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 936075 — identifiers, structure, computed properties (public domain)

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