2,3,5-tribromo-2,3-dihydropyran-6-one

C5H3Br3O2 — CID 23271081

IUPAC2,3,5-tribromo-2,3-dihydropyran-6-one
SMILESO=C1OC(Br)C(Br)C=C1Br
InChIInChI=1S/C5H3Br3O2/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H
InChIKeyBEXVCOALJIXOEH-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.31
Rot. Bonds

About 2,3,5-tribromo-2,3-dihydropyran-6-one

2,3,5-tribromo-2,3-dihydropyran-6-one (PubChem CID 23271081) has the molecular formula C5H3Br3O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 2,3,5-tribromo-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2,3,5-tribromo-2,3-dihydropyran-6-one
PubChem CID23271081
Molecular FormulaC5H3Br3O2
Molecular Weight334.79 g/mol
Exact Mass331.77
IUPAC Name2,3,5-tribromo-2,3-dihydropyran-6-one
SMILESO=C1OC(Br)C(Br)C=C1Br
InChIInChI=1S/C5H3Br3O2/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H
InChIKeyBEXVCOALJIXOEH-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,5-tribromo-2,3-dihydropyran-6-one 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 2,3,5-tribromo-2,3-dihydropyran-6-one?
The IUPAC name of 2,3,5-tribromo-2,3-dihydropyran-6-one (CID 23271081) is 2,3,5-tribromo-2,3-dihydropyran-6-one.
What is the SMILES notation for 2,3,5-tribromo-2,3-dihydropyran-6-one?
The canonical SMILES for 2,3,5-tribromo-2,3-dihydropyran-6-one is O=C1OC(Br)C(Br)C=C1Br.
What is the InChIKey of 2,3,5-tribromo-2,3-dihydropyran-6-one?
The InChIKey is BEXVCOALJIXOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br3O2/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H.
What are the key properties of 2,3,5-tribromo-2,3-dihydropyran-6-one?
2,3,5-tribromo-2,3-dihydropyran-6-one has a molecular weight of 334.79 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-2,3-dihydropyran-6-one is sourced from PubChem (CID 23271081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).