2,4-dibromo-2-chloro-3-oxopentanoyl bromide

C5H4Br3ClO2 — CID 150618690

IUPAC2,4-dibromo-2-chloro-3-oxopentanoyl bromide
SMILESCC(Br)C(=O)C(Cl)(Br)C(=O)Br
InChIInChI=1S/C5H4Br3ClO2/c1-2(6)3(10)5(8,9)4(7)11/h2H,1H3
InChIKeyIVKWPZLUEQTZKS-UHFFFAOYSA-N
MW371.25 g/mol
LogP2.59
Rot. Bonds3

About 2,4-dibromo-2-chloro-3-oxopentanoyl bromide

2,4-dibromo-2-chloro-3-oxopentanoyl bromide (PubChem CID 150618690) has the molecular formula C5H4Br3ClO2 and a molecular weight of 371.25 g/mol. Its IUPAC name is 2,4-dibromo-2-chloro-3-oxopentanoyl bromide.

Molecular Properties

Compound Name2,4-dibromo-2-chloro-3-oxopentanoyl bromide
PubChem CID150618690
Molecular FormulaC5H4Br3ClO2
Molecular Weight371.25 g/mol
Exact Mass367.74
IUPAC Name2,4-dibromo-2-chloro-3-oxopentanoyl bromide
SMILESCC(Br)C(=O)C(Cl)(Br)C(=O)Br
InChIInChI=1S/C5H4Br3ClO2/c1-2(6)3(10)5(8,9)4(7)11/h2H,1H3
InChIKeyIVKWPZLUEQTZKS-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-2-chloro-3-oxopentanoyl bromide?
The IUPAC name of 2,4-dibromo-2-chloro-3-oxopentanoyl bromide (CID 150618690) is 2,4-dibromo-2-chloro-3-oxopentanoyl bromide.
What is the SMILES notation for 2,4-dibromo-2-chloro-3-oxopentanoyl bromide?
The canonical SMILES for 2,4-dibromo-2-chloro-3-oxopentanoyl bromide is CC(Br)C(=O)C(Cl)(Br)C(=O)Br.
What is the InChIKey of 2,4-dibromo-2-chloro-3-oxopentanoyl bromide?
The InChIKey is IVKWPZLUEQTZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br3ClO2/c1-2(6)3(10)5(8,9)4(7)11/h2H,1H3.
What are the key properties of 2,4-dibromo-2-chloro-3-oxopentanoyl bromide?
2,4-dibromo-2-chloro-3-oxopentanoyl bromide has a molecular weight of 371.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-2-chloro-3-oxopentanoyl bromide is sourced from PubChem (CID 150618690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).