2,5-dibromopentanoyl chloride

C5H7Br2ClO — CID 11185032

IUPAC2,5-dibromopentanoyl chloride
SMILESO=C(Cl)C(Br)CCCBr
InChIInChI=1S/C5H7Br2ClO/c6-3-1-2-4(7)5(8)9/h4H,1-3H2
InChIKeyOUADIZVZFBYKSK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.69
Rot. Bonds4

About 2,5-dibromopentanoyl chloride

2,5-dibromopentanoyl chloride (PubChem CID 11185032) has the molecular formula C5H7Br2ClO and a molecular weight of 278.37 g/mol. Its IUPAC name is 2,5-dibromopentanoyl chloride.

Molecular Properties

Compound Name2,5-dibromopentanoyl chloride
PubChem CID11185032
Molecular FormulaC5H7Br2ClO
Molecular Weight278.37 g/mol
Exact Mass275.86
IUPAC Name2,5-dibromopentanoyl chloride
SMILESO=C(Cl)C(Br)CCCBr
InChIInChI=1S/C5H7Br2ClO/c6-3-1-2-4(7)5(8)9/h4H,1-3H2
InChIKeyOUADIZVZFBYKSK-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromopentanoyl chloride?
The IUPAC name of 2,5-dibromopentanoyl chloride (CID 11185032) is 2,5-dibromopentanoyl chloride.
What is the SMILES notation for 2,5-dibromopentanoyl chloride?
The canonical SMILES for 2,5-dibromopentanoyl chloride is O=C(Cl)C(Br)CCCBr.
What is the InChIKey of 2,5-dibromopentanoyl chloride?
The InChIKey is OUADIZVZFBYKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2ClO/c6-3-1-2-4(7)5(8)9/h4H,1-3H2.
What are the key properties of 2,5-dibromopentanoyl chloride?
2,5-dibromopentanoyl chloride has a molecular weight of 278.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromopentanoyl chloride is sourced from PubChem (CID 11185032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).