potassium 2-chloro-3-oxopropanoate

C3H2ClKO3 — CID 87271899

IUPACpotassium 2-chloro-3-oxopropanoate
SMILESO=CC(Cl)C(=O)[O-].[K+]
InChIInChI=1S/C3H3ClO3.K/c4-2(1-5)3(6)7;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyYDFGXVKPNXUUKD-UHFFFAOYSA-M
MW160.60 g/mol
LogP-4.45
Rot. Bonds2

About potassium 2-chloro-3-oxopropanoate

potassium 2-chloro-3-oxopropanoate (PubChem CID 87271899) has the molecular formula C3H2ClKO3 and a molecular weight of 160.60 g/mol. Its IUPAC name is potassium 2-chloro-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 2-chloro-3-oxopropanoate
PubChem CID87271899
Molecular FormulaC3H2ClKO3
Molecular Weight160.60 g/mol
Exact Mass159.93
IUPAC Namepotassium 2-chloro-3-oxopropanoate
SMILESO=CC(Cl)C(=O)[O-].[K+]
InChIInChI=1S/C3H3ClO3.K/c4-2(1-5)3(6)7;/h1-2H,(H,6,7);/q;+1/p-1
InChIKeyYDFGXVKPNXUUKD-UHFFFAOYSA-M
XLogP-4.45
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 5-4.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze potassium 2-chloro-3-oxopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2-chloro-3-oxobutanal;hydride
CID 173414321
2-chloropropanedioate
CID 19901306
calcium bis(2,2-dichloroacetate)
CID 56953502
bis(2,2-dichloroacetate);nickel(2+)
CID 18984292
cobalt(2+);bis(2,2-dichloroacetate)
CID 18984290
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
2-chloro-3-oxopent-4-enal
CID 173426703
(2R)-2-bromo-2-chloroacetate
CID 11904280
disodium;2-chloropropanedioate
CID 118724292
acetaldehyde;2-oxo(1,2-13C2)propanoate
CID 167580573
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017

Frequently Asked Questions

What is the IUPAC name of potassium 2-chloro-3-oxopropanoate?
The IUPAC name of potassium 2-chloro-3-oxopropanoate (CID 87271899) is potassium 2-chloro-3-oxopropanoate.
What is the SMILES notation for potassium 2-chloro-3-oxopropanoate?
The canonical SMILES for potassium 2-chloro-3-oxopropanoate is O=CC(Cl)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-chloro-3-oxopropanoate?
The InChIKey is YDFGXVKPNXUUKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3ClO3.K/c4-2(1-5)3(6)7;/h1-2H,(H,6,7);/q;+1/p-1.
What are the key properties of potassium 2-chloro-3-oxopropanoate?
potassium 2-chloro-3-oxopropanoate has a molecular weight of 160.60 g/mol, XLogP of -4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-chloro-3-oxopropanoate is sourced from PubChem (CID 87271899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).