6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid

C10H5F2NO4 — CID 14455621

IUPAC6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(O)c(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2NO4/c11-5-1-3-7(9(15)6(5)12)13-2-4(8(3)14)10(16)17/h1-2,15H,(H,13,14)(H,16,17)
InChIKeyGNSBGBAAFPFTQK-UHFFFAOYSA-N
MW241.15 g/mol
LogP1.21
Rot. Bonds1

About 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid

6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 14455621) has the molecular formula C10H5F2NO4 and a molecular weight of 241.15 g/mol. Its IUPAC name is 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID14455621
Molecular FormulaC10H5F2NO4
Molecular Weight241.15 g/mol
Exact Mass241.02
IUPAC Name6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(O)c(F)c(F)cc2c1=O
InChIInChI=1S/C10H5F2NO4/c11-5-1-3-7(9(15)6(5)12)13-2-4(8(3)14)10(16)17/h1-2,15H,(H,13,14)(H,16,17)
InChIKeyGNSBGBAAFPFTQK-UHFFFAOYSA-N
XLogP1.21
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 14455621) is 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(O)c(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is GNSBGBAAFPFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO4/c11-5-1-3-7(9(15)6(5)12)13-2-4(8(3)14)10(16)17/h1-2,15H,(H,13,14)(H,16,17).
What are the key properties of 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid?
6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 241.15 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 14455621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).