4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione

C9H6FNO3 — CID 68636865

IUPAC4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione
SMILESO=C1CC=Cc2[nH]c(=O)c(O)c(F)c21
InChIInChI=1S/C9H6FNO3/c10-7-6-4(2-1-3-5(6)12)11-9(14)8(7)13/h1-2,13H,3H2,(H,11,14)
InChIKeyIYJXGAHVELZTSC-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.82
Rot. Bonds

About 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione

4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione (PubChem CID 68636865) has the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione
PubChem CID68636865
Molecular FormulaC9H6FNO3
Molecular Weight195.15 g/mol
Exact Mass195.03
IUPAC Name4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione
SMILESO=C1CC=Cc2[nH]c(=O)c(O)c(F)c21
InChIInChI=1S/C9H6FNO3/c10-7-6-4(2-1-3-5(6)12)11-9(14)8(7)13/h1-2,13H,3H2,(H,11,14)
InChIKeyIYJXGAHVELZTSC-UHFFFAOYSA-N
XLogP0.82
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3,4-dihydroxyisoquinoline
CID 90091153
4-Fluoro-3-hydroxy-5-methyl-1,7-dihydroquinoline-2,6-dione
CID 68641443
4-acetyl-3-hydroxy-6-methyl-1H-pyridin-2-one
CID 59085744
4-hydroxy-1-propyl-2H-isoquinolin-3-one
CID 141346198

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione?
The IUPAC name of 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione (CID 68636865) is 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione.
What is the SMILES notation for 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione?
The canonical SMILES for 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione is O=C1CC=Cc2[nH]c(=O)c(O)c(F)c21.
What is the InChIKey of 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione?
The InChIKey is IYJXGAHVELZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO3/c10-7-6-4(2-1-3-5(6)12)11-9(14)8(7)13/h1-2,13H,3H2,(H,11,14).
What are the key properties of 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione?
4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione has a molecular weight of 195.15 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-1,6-dihydroquinoline-2,5-dione is sourced from PubChem (CID 68636865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).