2,3,3,3-tetraiodopropanoic acid

C3H2I4O2 — CID 175385480

IUPAC2,3,3,3-tetraiodopropanoic acid
SMILESO=C(O)C(I)C(I)(I)I
InChIInChI=1S/C3H2I4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyFUWJQGAUQJXLKR-UHFFFAOYSA-N
MW577.66 g/mol
LogP2.83
Rot. Bonds2

About 2,3,3,3-tetraiodopropanoic acid

2,3,3,3-tetraiodopropanoic acid (PubChem CID 175385480) has the molecular formula C3H2I4O2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 2,3,3,3-tetraiodopropanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetraiodopropanoic acid
PubChem CID175385480
Molecular FormulaC3H2I4O2
Molecular Weight577.66 g/mol
Exact Mass577.62
IUPAC Name2,3,3,3-tetraiodopropanoic acid
SMILESO=C(O)C(I)C(I)(I)I
InChIInChI=1S/C3H2I4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKeyFUWJQGAUQJXLKR-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.66
LogP ≤ 52.83
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

(2S)-2-bromo-2-iodoacetic acid
CID 95858521
2-chloro-2-iodoacetic acid
CID 23426777
sodium;2,2-diiodoacetic acid;hydride
CID 174620082
2-methylpropanoic acid;triiodovanadium
CID 158772262
2-iodo-4,4-dimethyl-3-oxopentanoic acid
CID 170076095
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
4,4,4-trifluoro-2-iodobutanoic acid
CID 19436674
2-iodobutanedioic acid
CID 21453258
2-fluoro-2-iodopropanedioic acid
CID 23035987
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
2,2,3,3,3-pentaiodopropanoic acid
CID 23034930
acetic acid;acetyl chloride;iodoform;iodomethane;vanadium
CID 157338549

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetraiodopropanoic acid?
The IUPAC name of 2,3,3,3-tetraiodopropanoic acid (CID 175385480) is 2,3,3,3-tetraiodopropanoic acid.
What is the SMILES notation for 2,3,3,3-tetraiodopropanoic acid?
The canonical SMILES for 2,3,3,3-tetraiodopropanoic acid is O=C(O)C(I)C(I)(I)I.
What is the InChIKey of 2,3,3,3-tetraiodopropanoic acid?
The InChIKey is FUWJQGAUQJXLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2I4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9).
What are the key properties of 2,3,3,3-tetraiodopropanoic acid?
2,3,3,3-tetraiodopropanoic acid has a molecular weight of 577.66 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetraiodopropanoic acid is sourced from PubChem (CID 175385480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).