6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid

C10H6FNO5 — CID 118596050

IUPAC6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(O)c2cc(O)c(F)cc2c1=O
InChIInChI=1S/C10H6FNO5/c11-6-1-4-7(2-8(6)13)12(17)3-5(9(4)14)10(15)16/h1-3,13,17H,(H,15,16)
InChIKeyWJKZZYGURMEVET-UHFFFAOYSA-N
MW239.16 g/mol
LogP0.78
Rot. Bonds1

About 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid

6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 118596050) has the molecular formula C10H6FNO5 and a molecular weight of 239.16 g/mol. Its IUPAC name is 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
PubChem CID118596050
Molecular FormulaC10H6FNO5
Molecular Weight239.16 g/mol
Exact Mass239.02
IUPAC Name6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(O)c2cc(O)c(F)cc2c1=O
InChIInChI=1S/C10H6FNO5/c11-6-1-4-7(2-8(6)13)12(17)3-5(9(4)14)10(15)16/h1-3,13,17H,(H,15,16)
InChIKeyWJKZZYGURMEVET-UHFFFAOYSA-N
XLogP0.78
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 141366573
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139655183
7-fluoro-6-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid;methanethiol
CID 142937709
2,7-difluoro-3,6-dihydroxy-10-propan-2-ylacridin-9-one
CID 56957017
7-chloro-6-fluoro-4-oxo-1-(2,2,3,3-tetramethylaziridin-1-yl)quinoline-3-carboxylic acid
CID 139640784
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 70388176

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid (CID 118596050) is 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(O)c2cc(O)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WJKZZYGURMEVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO5/c11-6-1-4-7(2-8(6)13)12(17)3-5(9(4)14)10(15)16/h1-3,13,17H,(H,15,16).
What are the key properties of 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 239.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 118596050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).