(2S)-2,5-dibromopentanoyl bromide

C5H7Br3O — CID 129383629

IUPAC(2S)-2,5-dibromopentanoyl bromide
SMILESO=C(Br)[C@@H](Br)CCCBr
InChIInChI=1S/C5H7Br3O/c6-3-1-2-4(7)5(8)9/h4H,1-3H2/t4-/m0/s1
InChIKeyKDERLUPQTSFAPW-BYPYZUCNSA-N
MW322.82 g/mol
LogP2.85
Rot. Bonds4

About (2S)-2,5-dibromopentanoyl bromide

(2S)-2,5-dibromopentanoyl bromide (PubChem CID 129383629) has the molecular formula C5H7Br3O and a molecular weight of 322.82 g/mol. Its IUPAC name is (2S)-2,5-dibromopentanoyl bromide.

Molecular Properties

Compound Name(2S)-2,5-dibromopentanoyl bromide
PubChem CID129383629
Molecular FormulaC5H7Br3O
Molecular Weight322.82 g/mol
Exact Mass319.80
IUPAC Name(2S)-2,5-dibromopentanoyl bromide
SMILESO=C(Br)[C@@H](Br)CCCBr
InChIInChI=1S/C5H7Br3O/c6-3-1-2-4(7)5(8)9/h4H,1-3H2/t4-/m0/s1
InChIKeyKDERLUPQTSFAPW-BYPYZUCNSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.85
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 (2S)-2,5-dibromopentanoyl bromide?
The IUPAC name of (2S)-2,5-dibromopentanoyl bromide (CID 129383629) is (2S)-2,5-dibromopentanoyl bromide.
What is the SMILES notation for (2S)-2,5-dibromopentanoyl bromide?
The canonical SMILES for (2S)-2,5-dibromopentanoyl bromide is O=C(Br)[C@@H](Br)CCCBr.
What is the InChIKey of (2S)-2,5-dibromopentanoyl bromide?
The InChIKey is KDERLUPQTSFAPW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7Br3O/c6-3-1-2-4(7)5(8)9/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-2,5-dibromopentanoyl bromide?
(2S)-2,5-dibromopentanoyl bromide has a molecular weight of 322.82 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dibromopentanoyl bromide is sourced from PubChem (CID 129383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).