6-bromo-7-formyl-4-oxochromene-2-carboxylic acid

C11H5BrO5 — CID 156537186

IUPAC6-bromo-7-formyl-4-oxochromene-2-carboxylic acid
SMILESO=Cc1cc2oc(C(=O)O)cc(=O)c2cc1Br
InChIInChI=1S/C11H5BrO5/c12-7-2-6-8(14)3-10(11(15)16)17-9(6)1-5(7)4-13/h1-4H,(H,15,16)
InChIKeyXLMNLYHBCVQMMQ-UHFFFAOYSA-N
MW297.06 g/mol
LogP2.07
Rot. Bonds2

About 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid

6-bromo-7-formyl-4-oxochromene-2-carboxylic acid (PubChem CID 156537186) has the molecular formula C11H5BrO5 and a molecular weight of 297.06 g/mol. Its IUPAC name is 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-formyl-4-oxochromene-2-carboxylic acid
PubChem CID156537186
Molecular FormulaC11H5BrO5
Molecular Weight297.06 g/mol
Exact Mass295.93
IUPAC Name6-bromo-7-formyl-4-oxochromene-2-carboxylic acid
SMILESO=Cc1cc2oc(C(=O)O)cc(=O)c2cc1Br
InChIInChI=1S/C11H5BrO5/c12-7-2-6-8(14)3-10(11(15)16)17-9(6)1-5(7)4-13/h1-4H,(H,15,16)
InChIKeyXLMNLYHBCVQMMQ-UHFFFAOYSA-N
XLogP2.07
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid?
The IUPAC name of 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid (CID 156537186) is 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid is O=Cc1cc2oc(C(=O)O)cc(=O)c2cc1Br.
What is the InChIKey of 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid?
The InChIKey is XLMNLYHBCVQMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrO5/c12-7-2-6-8(14)3-10(11(15)16)17-9(6)1-5(7)4-13/h1-4H,(H,15,16).
What are the key properties of 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid?
6-bromo-7-formyl-4-oxochromene-2-carboxylic acid has a molecular weight of 297.06 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-formyl-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 156537186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).