8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione

C10H6FNO3 — CID 15029643

IUPAC8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C10H6FNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15)
InChIKeyZAZQJJXYILGMQL-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.73
Rot. Bonds

About 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione

8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione (PubChem CID 15029643) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
PubChem CID15029643
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Name8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C10H6FNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15)
InChIKeyZAZQJJXYILGMQL-UHFFFAOYSA-N
XLogP0.73
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The IUPAC name of 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione (CID 15029643) is 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione is O=c1cc(O)c2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The InChIKey is ZAZQJJXYILGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15).
What are the key properties of 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione has a molecular weight of 207.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 15029643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).