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

C10H6FNO5 — CID 141366573

IUPAC1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(F)c2cc(O)c(O)cc2c1=O
InChIInChI=1S/C10H6FNO5/c11-12-3-5(10(16)17)9(15)4-1-7(13)8(14)2-6(4)12/h1-3,13-14H,(H,16,17)
InChIKeyFMNSUEFEMHNXCW-UHFFFAOYSA-N
MW239.16 g/mol
LogP0.84
Rot. Bonds1

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

1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 141366573) has the molecular formula C10H6FNO5 and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
PubChem CID141366573
Molecular FormulaC10H6FNO5
Molecular Weight239.16 g/mol
Exact Mass239.02
IUPAC Name1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(F)c2cc(O)c(O)cc2c1=O
InChIInChI=1S/C10H6FNO5/c11-12-3-5(10(16)17)9(15)4-1-7(13)8(14)2-6(4)12/h1-3,13-14H,(H,16,17)
InChIKeyFMNSUEFEMHNXCW-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 118596050
6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
6,7-dihydroxy-2-methyl-1-oxoisoquinoline-4-carboxylic acid
CID 54392863
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
7-chloro-6-fluoro-4-oxo-1-(2,2,3,3-tetramethylaziridin-1-yl)quinoline-3-carboxylic acid
CID 139640784
7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 132839571
6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139655183
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
6-chloro-1-methyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66487885
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid (CID 141366573) is 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(F)c2cc(O)c(O)cc2c1=O.
What is the InChIKey of 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FMNSUEFEMHNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO5/c11-12-3-5(10(16)17)9(15)4-1-7(13)8(14)2-6(4)12/h1-3,13-14H,(H,16,17).
What are the key properties of 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid?
1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 239.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 141366573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).