2-chloro-2-iodoacetic acid

C2H2ClIO2 — CID 23426777

IUPAC2-chloro-2-iodoacetic acid
SMILESO=C(O)C(Cl)I
InChIInChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKeyORHUCRGLFVRTJV-UHFFFAOYSA-N
MW220.39 g/mol
LogP1.07
Rot. Bonds1

About 2-chloro-2-iodoacetic acid

2-chloro-2-iodoacetic acid (PubChem CID 23426777) has the molecular formula C2H2ClIO2 and a molecular weight of 220.39 g/mol. Its IUPAC name is 2-chloro-2-iodoacetic acid.

Molecular Properties

Compound Name2-chloro-2-iodoacetic acid
PubChem CID23426777
Molecular FormulaC2H2ClIO2
Molecular Weight220.39 g/mol
Exact Mass219.88
IUPAC Name2-chloro-2-iodoacetic acid
SMILESO=C(O)C(Cl)I
InChIInChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKeyORHUCRGLFVRTJV-UHFFFAOYSA-N
XLogP1.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 51.07
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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Related Compounds

3-chloro-2-iodobutanoic acid
CID 131861443
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
(2S)-2-bromo-2-iodoacetic acid
CID 95858521
sodium;2,2-diiodoacetic acid;hydride
CID 174620082
1-chloro-1-iodobutan-2-one
CID 89107344
alumane;2-chloropropanoic acid
CID 173230355
potassium;carbonic acid;chloroform;hydride
CID 173067298
cesium;potassium;2-chloro-2-fluoroacetic acid;hydride
CID 175155276
2,3,3,3-tetraiodopropanoic acid
CID 175385480
2,3-dichlorobutanoic acid
CID 534513
(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
2,2-dichloroacetic acid;fluorophosphonic acid
CID 88775325

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-iodoacetic acid?
The IUPAC name of 2-chloro-2-iodoacetic acid (CID 23426777) is 2-chloro-2-iodoacetic acid.
What is the SMILES notation for 2-chloro-2-iodoacetic acid?
The canonical SMILES for 2-chloro-2-iodoacetic acid is O=C(O)C(Cl)I.
What is the InChIKey of 2-chloro-2-iodoacetic acid?
The InChIKey is ORHUCRGLFVRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6).
What are the key properties of 2-chloro-2-iodoacetic acid?
2-chloro-2-iodoacetic acid has a molecular weight of 220.39 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-iodoacetic acid is sourced from PubChem (CID 23426777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).