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

C2H2BrIO2 — CID 95858521

IUPAC(2S)-2-bromo-2-iodoacetic acid
SMILESO=C(O)[C@@H](Br)I
InChIInChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m0/s1
InChIKeyPMJXOVYMFHLFDD-SFOWXEAESA-N
MW264.84 g/mol
LogP1.23
Rot. Bonds1

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 CID95858521
Molecular FormulaC2H2BrIO2
Molecular Weight264.84 g/mol
Exact Mass263.83
IUPAC Name(2S)-2-bromo-2-iodoacetic acid
SMILESO=C(O)[C@@H](Br)I
InChIInChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)/t1-/m0/s1
InChIKeyPMJXOVYMFHLFDD-SFOWXEAESA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).