6-bromo-4-oxochromene-3-carboxylic acid

C10H5BrO4 — CID 2756898

IUPAC6-bromo-4-oxochromene-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChIKeyIJTWNMVKNJSGMS-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.25
Rot. Bonds1

About 6-bromo-4-oxochromene-3-carboxylic acid

6-bromo-4-oxochromene-3-carboxylic acid (PubChem CID 2756898) has the molecular formula C10H5BrO4 and a molecular weight of 269.05 g/mol. Its IUPAC name is 6-bromo-4-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-oxochromene-3-carboxylic acid
PubChem CID2756898
Molecular FormulaC10H5BrO4
Molecular Weight269.05 g/mol
Exact Mass267.94
IUPAC Name6-bromo-4-oxochromene-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChIKeyIJTWNMVKNJSGMS-UHFFFAOYSA-N
XLogP2.25
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-4-oxochromene-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-oxochromene-3-carboxylic acid?
The IUPAC name of 6-bromo-4-oxochromene-3-carboxylic acid (CID 2756898) is 6-bromo-4-oxochromene-3-carboxylic acid.
What is the SMILES notation for 6-bromo-4-oxochromene-3-carboxylic acid?
The canonical SMILES for 6-bromo-4-oxochromene-3-carboxylic acid is O=C(O)c1coc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-4-oxochromene-3-carboxylic acid?
The InChIKey is IJTWNMVKNJSGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14).
What are the key properties of 6-bromo-4-oxochromene-3-carboxylic acid?
6-bromo-4-oxochromene-3-carboxylic acid has a molecular weight of 269.05 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-oxochromene-3-carboxylic acid is sourced from PubChem (CID 2756898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).