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

C10H5BrFNO3 — CID 4306835

IUPAC6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cc(Br)cc2c1=O
InChIInChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyJQJQQEWGNXPSQV-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.13
Rot. Bonds1

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

6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 4306835) has the molecular formula C10H5BrFNO3 and a molecular weight of 286.06 g/mol. Its IUPAC name is 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID4306835
Molecular FormulaC10H5BrFNO3
Molecular Weight286.06 g/mol
Exact Mass284.94
IUPAC Name6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(F)cc(Br)cc2c1=O
InChIInChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyJQJQQEWGNXPSQV-UHFFFAOYSA-N
XLogP2.13
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 4306835) is 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(F)cc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JQJQQEWGNXPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 286.06 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 4306835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).