5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid

C10H5BrFNO3 — CID 114553149

IUPAC5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Br)ccc(F)c2[nH]c1=O
InChIInChI=1S/C10H5BrFNO3/c11-6-1-2-7(12)8-4(6)3-5(10(15)16)9(14)13-8/h1-3H,(H,13,14)(H,15,16)
InChIKeyUXMHYVPPLFEGDO-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.13
Rot. Bonds1

About 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid

5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 114553149) has the molecular formula C10H5BrFNO3 and a molecular weight of 286.06 g/mol. Its IUPAC name is 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID114553149
Molecular FormulaC10H5BrFNO3
Molecular Weight286.06 g/mol
Exact Mass284.94
IUPAC Name5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c(Br)ccc(F)c2[nH]c1=O
InChIInChI=1S/C10H5BrFNO3/c11-6-1-2-7(12)8-4(6)3-5(10(15)16)9(14)13-8/h1-3H,(H,13,14)(H,15,16)
InChIKeyUXMHYVPPLFEGDO-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

Analyze 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553154
8-bromo-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517726
6,7,8-trifluoro-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690298
6-(5-bromo-2-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 82973284
4-amino-7-fluoro-1H-indole-2-carboxylic acid
CID 82401505
4-bromo-7-fluoro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 167886372
2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 107923917
4-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 132842983
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
4-bromo-7-fluoro-1-benzothiophene-2-carboxylic acid
CID 22474090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid (CID 114553149) is 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2c(Br)ccc(F)c2[nH]c1=O.
What is the InChIKey of 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is UXMHYVPPLFEGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO3/c11-6-1-2-7(12)8-4(6)3-5(10(15)16)9(14)13-8/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid?
5-bromo-8-fluoro-2-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 5-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).