8-fluoro-2H-isoquinolin-1-one

C₉H₆FNO — CID 45090798

About 8-fluoro-2H-isoquinolin-1-one

8-fluoro-2H-isoquinolin-1-one (PubChem CID 45090798) has the molecular formula C₉H₆FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 8-fluoro-2H-isoquinolin-1-one.

Molecular Properties

• Compound Name: 8-fluoro-2H-isoquinolin-1-one
• PubChem CID: 45090798
• Molecular Formula: C₉H₆FNO
• Molecular Weight: 163.15 g/mol
• Exact Mass: 163.04
• IUPAC Name: 8-fluoro-2H-isoquinolin-1-one
• SMILES: O=c1[nH]ccc2cccc(F)c12
• InChI: InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12)
• InChIKey: HPZLBFWUSRABGH-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 32.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.15
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2H-isoquinolin-1-one?

The IUPAC name of 8-fluoro-2H-isoquinolin-1-one (CID 45090798) is 8-fluoro-2H-isoquinolin-1-one.

What is the SMILES notation for 8-fluoro-2H-isoquinolin-1-one?

The canonical SMILES for 8-fluoro-2H-isoquinolin-1-one is O=c1[nH]ccc2cccc(F)c12.

What is the InChIKey of 8-fluoro-2H-isoquinolin-1-one?

The InChIKey is HPZLBFWUSRABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12).

What are the key properties of 8-fluoro-2H-isoquinolin-1-one?

8-fluoro-2H-isoquinolin-1-one has a molecular weight of 163.15 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2H-isoquinolin-1-one is sourced from PubChem (CID 45090798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 45090798 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.