6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid

C10H5F2NO3 — CID 75998293

IUPAC6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2=CC(F)C(F)=CC2=N1
InChIInChI=1S/C10H5F2NO3/c11-6-1-4-5(10(15)16)2-9(14)13-8(4)3-7(6)12/h1-3,6H,(H,15,16)
InChIKeyWUGZGXMBKXAMPF-UHFFFAOYSA-N
MW225.15 g/mol
LogP1.11
Rot. Bonds1

About 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid

6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid (PubChem CID 75998293) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
PubChem CID75998293
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2=CC(F)C(F)=CC2=N1
InChIInChI=1S/C10H5F2NO3/c11-6-1-4-5(10(15)16)2-9(14)13-8(4)3-7(6)12/h1-3,6H,(H,15,16)
InChIKeyWUGZGXMBKXAMPF-UHFFFAOYSA-N
XLogP1.11
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2,3-Dioxoquinoxaline-5-carboxylic acid
CID 67799393
2,3-Dihydroquinoline-5-carboxylic acid
CID 150637150
2-oxo-3H-quinoline-7-carboxylic acid
CID 152026221
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
2-oxo-4aH-quinoline-4-carboxylic acid;hydrate
CID 74315819
2-oxo-4aH-quinoline-4-carboxylic acid
CID 74315820
6-bromo-2-oxo-6H-quinoline-4-carboxylic acid
CID 74688477
6-chloro-2-oxo-6H-quinoline-4-carboxylic acid
CID 74694617

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid?
The IUPAC name of 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid (CID 75998293) is 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid?
The canonical SMILES for 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2=CC(F)C(F)=CC2=N1.
What is the InChIKey of 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid?
The InChIKey is WUGZGXMBKXAMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-6-1-4-5(10(15)16)2-9(14)13-8(4)3-7(6)12/h1-3,6H,(H,15,16).
What are the key properties of 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid?
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid has a molecular weight of 225.15 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid is sourced from PubChem (CID 75998293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).