(2S)-2-bromo-2-iodoacetic acid

C₂H₂BrIO₂ — CID 95858521

About (2S)-2-bromo-2-iodoacetic acid

(2S)-2-bromo-2-iodoacetic acid (PubChem CID 95858521) has the molecular formula C₂H₂BrIO₂ and a molecular weight of 264.84 g/mol. Its IUPAC name is (2S)-2-bromo-2-iodoacetic acid.

Molecular Properties

• Compound Name: (2S)-2-bromo-2-iodoacetic acid
• PubChem CID: 95858521
• Molecular Formula: C₂H₂BrIO₂
• Molecular Weight: 264.84 g/mol
• Exact Mass: 263.83
• IUPAC Name: (2S)-2-bromo-2-iodoacetic acid
• SMILES: O=C(O)[C@@H](Br)I
• InChI: InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m0/s1
• InChIKey: PMJXOVYMFHLFDD-SFOWXEAESA-N
• XLogP: 1.23
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.84
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-2-iodoacetic acid?

The IUPAC name of (2S)-2-bromo-2-iodoacetic acid (CID 95858521) is (2S)-2-bromo-2-iodoacetic acid.

What is the SMILES notation for (2S)-2-bromo-2-iodoacetic acid?

The canonical SMILES for (2S)-2-bromo-2-iodoacetic acid is O=C(O)[C@@H](Br)I.

What is the InChIKey of (2S)-2-bromo-2-iodoacetic acid?

The InChIKey is PMJXOVYMFHLFDD-SFOWXEAESA-N. The full InChI is InChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m0/s1.

What are the key properties of (2S)-2-bromo-2-iodoacetic acid?

(2S)-2-bromo-2-iodoacetic acid has a molecular weight of 264.84 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-bromo-2-iodoacetic acid is sourced from PubChem (CID 95858521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 95858521 — identifiers, structure, computed properties (public domain)

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