5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione

C10H7Br3N2O3 — CID 634957

IUPAC5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2cc(Br)c(O)c(Br)c2)CC1Br
InChIInChI=1S/C10H7Br3N2O3/c11-5-1-4(2-6(12)8(5)16)15-3-7(13)9(17)14-10(15)18/h1-2,7,16H,3H2,(H,14,17,18)
InChIKeyMMOAGXLXRZDVSR-UHFFFAOYSA-N
MW442.89 g/mol
LogP2.74
Rot. Bonds1

About 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione

5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 634957) has the molecular formula C10H7Br3N2O3 and a molecular weight of 442.89 g/mol. Its IUPAC name is 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID634957
Molecular FormulaC10H7Br3N2O3
Molecular Weight442.89 g/mol
Exact Mass439.80
IUPAC Name5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2cc(Br)c(O)c(Br)c2)CC1Br
InChIInChI=1S/C10H7Br3N2O3/c11-5-1-4(2-6(12)8(5)16)15-3-7(13)9(17)14-10(15)18/h1-2,7,16H,3H2,(H,14,17,18)
InChIKeyMMOAGXLXRZDVSR-UHFFFAOYSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione (CID 634957) is 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione is O=C1NC(=O)N(c2cc(Br)c(O)c(Br)c2)CC1Br.
What is the InChIKey of 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is MMOAGXLXRZDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br3N2O3/c11-5-1-4(2-6(12)8(5)16)15-3-7(13)9(17)14-10(15)18/h1-2,7,16H,3H2,(H,14,17,18).
What are the key properties of 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione?
5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 442.89 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,5-dibromo-4-hydroxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 634957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).