7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid

C10H6FNO3 — CID 75263405

IUPAC7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC(F)=CC2=N1
InChIInChI=1S/C10H6FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-4,6H,(H,14,15)
InChIKeyHCBCVBXGBFCGFJ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.02
Rot. Bonds1

About 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid

7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 75263405) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID75263405
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Name7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESO=C1C=C(C(=O)O)C2C=CC(F)=CC2=N1
InChIInChI=1S/C10H6FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-4,6H,(H,14,15)
InChIKeyHCBCVBXGBFCGFJ-UHFFFAOYSA-N
XLogP1.02
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-oxo-4aH-quinoline-3-carboxylic acid
CID 73978563
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
CID 75998293
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid
CID 156621264
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2,3-Dioxoquinoxaline-5-carboxylic acid
CID 67799393
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028
8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651035
2-oxo-4aH-quinoline-6-carboxylic acid
CID 72208352
8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
CID 72725908
4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid
CID 72730371

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid (CID 75263405) is 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid is O=C1C=C(C(=O)O)C2C=CC(F)=CC2=N1.
What is the InChIKey of 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid?
The InChIKey is HCBCVBXGBFCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-4,6H,(H,14,15).
What are the key properties of 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid?
7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid has a molecular weight of 207.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 75263405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).