7-Bromo-3,6-difluoro-quinoline

C₉H₄BrF₂N — CID 162381108

About 7-Bromo-3,6-difluoro-quinoline

7-Bromo-3,6-difluoro-quinoline (PubChem CID 162381108) has the molecular formula C₉H₄BrF₂N and a molecular weight of 244.04 g/mol. Its IUPAC name is 7-bromo-3,6-difluoroquinoline.

Molecular Properties

• Compound Name: 7-Bromo-3,6-difluoro-quinoline
• PubChem CID: 162381108
• Molecular Formula: C₉H₄BrF₂N
• Molecular Weight: 244.04 g/mol
• Exact Mass: 242.95
• IUPAC Name: 7-bromo-3,6-difluoroquinoline
• SMILES: Fc1cnc2cc(Br)c(F)cc2c1
• InChI: InChI=1S/C9H4BrF2N/c10-7-3-9-5(2-8(7)12)1-6(11)4-13-9/h1-4H
• InChIKey: DHGDHOMNGZNIMD-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.04
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-Bromo-3,6-difluoro-quinoline?

The IUPAC name of 7-Bromo-3,6-difluoro-quinoline (CID 162381108) is 7-bromo-3,6-difluoroquinoline.

What is the SMILES notation for 7-Bromo-3,6-difluoro-quinoline?

The canonical SMILES for 7-Bromo-3,6-difluoro-quinoline is Fc1cnc2cc(Br)c(F)cc2c1.

What is the InChIKey of 7-Bromo-3,6-difluoro-quinoline?

The InChIKey is DHGDHOMNGZNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF2N/c10-7-3-9-5(2-8(7)12)1-6(11)4-13-9/h1-4H.

What are the key properties of 7-Bromo-3,6-difluoro-quinoline?

7-Bromo-3,6-difluoro-quinoline has a molecular weight of 244.04 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-Bromo-3,6-difluoro-quinoline is sourced from PubChem (CID 162381108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162381108 — identifiers, structure, computed properties (public domain)

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