6,8-dibromo-4-oxochromene-3-carbaldehyde

C10H4Br2O3 — CID 688710

IUPAC6,8-dibromo-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H4Br2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKeyXTEURQCXJDIUCR-UHFFFAOYSA-N
MW331.95 g/mol
LogP3.13
Rot. Bonds1

About 6,8-dibromo-4-oxochromene-3-carbaldehyde

6,8-dibromo-4-oxochromene-3-carbaldehyde (PubChem CID 688710) has the molecular formula C10H4Br2O3 and a molecular weight of 331.95 g/mol. Its IUPAC name is 6,8-dibromo-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name6,8-dibromo-4-oxochromene-3-carbaldehyde
PubChem CID688710
Molecular FormulaC10H4Br2O3
Molecular Weight331.95 g/mol
Exact Mass329.85
IUPAC Name6,8-dibromo-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2c(Br)cc(Br)cc2c1=O
InChIInChI=1S/C10H4Br2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKeyXTEURQCXJDIUCR-UHFFFAOYSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-4-oxochromene-3-carbaldehyde?
The IUPAC name of 6,8-dibromo-4-oxochromene-3-carbaldehyde (CID 688710) is 6,8-dibromo-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 6,8-dibromo-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 6,8-dibromo-4-oxochromene-3-carbaldehyde is O=Cc1coc2c(Br)cc(Br)cc2c1=O.
What is the InChIKey of 6,8-dibromo-4-oxochromene-3-carbaldehyde?
The InChIKey is XTEURQCXJDIUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H.
What are the key properties of 6,8-dibromo-4-oxochromene-3-carbaldehyde?
6,8-dibromo-4-oxochromene-3-carbaldehyde has a molecular weight of 331.95 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 688710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).