6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid

C10H5F2NO3 — CID 22017454

IUPAC6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(F)c2[nH]1
InChIInChI=1S/C10H5F2NO3/c11-4-1-5-8(14)3-7(10(15)16)13-9(5)6(12)2-4/h1-3H,(H,13,14)(H,15,16)
InChIKeyPJHYUKCCONWVHG-UHFFFAOYSA-N
MW225.15 g/mol
LogP1.50
Rot. Bonds1

About 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid

6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 22017454) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID22017454
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)cc(F)c2[nH]1
InChIInChI=1S/C10H5F2NO3/c11-4-1-5-8(14)3-7(10(15)16)13-9(5)6(12)2-4/h1-3H,(H,13,14)(H,15,16)
InChIKeyPJHYUKCCONWVHG-UHFFFAOYSA-N
XLogP1.50
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid (CID 22017454) is 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)cc(F)c2[nH]1.
What is the InChIKey of 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is PJHYUKCCONWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-4-1-5-8(14)3-7(10(15)16)13-9(5)6(12)2-4/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid?
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 225.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 22017454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).