iodo acetate;hydrochloride

C2H4ClIO2 — CID 22153279

IUPACiodo acetate;hydrochloride
SMILESCC(=O)OI.Cl
InChIInChI=1S/C2H3IO2.ClH/c1-2(4)5-3;/h1H3;1H
InChIKeyNPOLKAYKYVJFOH-UHFFFAOYSA-N
MW222.41 g/mol
LogP1.32
Rot. Bonds

About iodo acetate;hydrochloride

iodo acetate;hydrochloride (PubChem CID 22153279) has the molecular formula C2H4ClIO2 and a molecular weight of 222.41 g/mol. Its IUPAC name is iodo acetate;hydrochloride.

Molecular Properties

Compound Nameiodo acetate;hydrochloride
PubChem CID22153279
Molecular FormulaC2H4ClIO2
Molecular Weight222.41 g/mol
Exact Mass221.89
IUPAC Nameiodo acetate;hydrochloride
SMILESCC(=O)OI.Cl
InChIInChI=1S/C2H3IO2.ClH/c1-2(4)5-3;/h1H3;1H
InChIKeyNPOLKAYKYVJFOH-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;iodo acetate;trihydrate
CID 174829921
potassium;iodo acetate;acetate
CID 139746674
acetyl acetate;hydrochloride
CID 87138027
CID 87069860
CID 87069860
methyl acetate;ruthenium
CID 160799101
[(Z)-4-oxopent-2-en-2-yl] hypoiodite
CID 89073208
methyltellanyl acetate
CID 175941211
sodium;amino acetate;hydride;hydrochloride
CID 174988291
acetic acid;ruthenium
CID 175502908
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209

Frequently Asked Questions

What is the IUPAC name of iodo acetate;hydrochloride?
The IUPAC name of iodo acetate;hydrochloride (CID 22153279) is iodo acetate;hydrochloride.
What is the SMILES notation for iodo acetate;hydrochloride?
The canonical SMILES for iodo acetate;hydrochloride is CC(=O)OI.Cl.
What is the InChIKey of iodo acetate;hydrochloride?
The InChIKey is NPOLKAYKYVJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IO2.ClH/c1-2(4)5-3;/h1H3;1H.
What are the key properties of iodo acetate;hydrochloride?
iodo acetate;hydrochloride has a molecular weight of 222.41 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo acetate;hydrochloride is sourced from PubChem (CID 22153279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).