5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

C11H7BrFNO3 — CID 107593505

IUPAC5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(F)c(Br)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H7BrFNO3/c1-4-2-6(13)8(12)7-9(4)14-3-5(10(7)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyCUORLGKLRYPHGI-UHFFFAOYSA-N
MW300.08 g/mol
LogP2.44
Rot. Bonds1

About 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 107593505) has the molecular formula C11H7BrFNO3 and a molecular weight of 300.08 g/mol. Its IUPAC name is 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID107593505
Molecular FormulaC11H7BrFNO3
Molecular Weight300.08 g/mol
Exact Mass298.96
IUPAC Name5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1cc(F)c(Br)c2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H7BrFNO3/c1-4-2-6(13)8(12)7-9(4)14-3-5(10(7)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyCUORLGKLRYPHGI-UHFFFAOYSA-N
XLogP2.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.08
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 107593505) is 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1cc(F)c(Br)c2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is CUORLGKLRYPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO3/c1-4-2-6(13)8(12)7-9(4)14-3-5(10(7)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 300.08 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 107593505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).