potassium;2-chloroisoindole-1,3-dione;hydride

C8H5ClKNO2 — CID 175533491

IUPACpotassium;2-chloroisoindole-1,3-dione;hydride
SMILESO=C1c2ccccc2C(=O)N1Cl.[H-].[K+]
InChIInChI=1S/C8H4ClNO2.K.H/c9-10-7(11)5-3-1-2-4-6(5)8(10)12;;/h1-4H;;/q;+1;-1
InChIKeyQUFIKUHBQSERQO-UHFFFAOYSA-N
MW221.68 g/mol
LogP-1.45
Rot. Bonds

About potassium;2-chloroisoindole-1,3-dione;hydride

potassium;2-chloroisoindole-1,3-dione;hydride (PubChem CID 175533491) has the molecular formula C8H5ClKNO2 and a molecular weight of 221.68 g/mol. Its IUPAC name is potassium;2-chloroisoindole-1,3-dione;hydride.

Molecular Properties

Compound Namepotassium;2-chloroisoindole-1,3-dione;hydride
PubChem CID175533491
Molecular FormulaC8H5ClKNO2
Molecular Weight221.68 g/mol
Exact Mass220.96
IUPAC Namepotassium;2-chloroisoindole-1,3-dione;hydride
SMILESO=C1c2ccccc2C(=O)N1Cl.[H-].[K+]
InChIInChI=1S/C8H4ClNO2.K.H/c9-10-7(11)5-3-1-2-4-6(5)8(10)12;;/h1-4H;;/q;+1;-1
InChIKeyQUFIKUHBQSERQO-UHFFFAOYSA-N
XLogP-1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 58970820
CID 58970820
2-hydroxyisoindole-1,3-dione
CID 66775726
CID 58635188
CID 58635188
2-aminooxyisoindole-1,3-dione
CID 89054763
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
CID 66974961
CID 66974961
lithium;anthracene-9,10-dione;hydride
CID 174683199
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-[dichloro(fluoro)-λ4-sulfanyl]isoindole-1,3-dione
CID 54574895
potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride
CID 173444664

Frequently Asked Questions

What is the IUPAC name of potassium;2-chloroisoindole-1,3-dione;hydride?
The IUPAC name of potassium;2-chloroisoindole-1,3-dione;hydride (CID 175533491) is potassium;2-chloroisoindole-1,3-dione;hydride.
What is the SMILES notation for potassium;2-chloroisoindole-1,3-dione;hydride?
The canonical SMILES for potassium;2-chloroisoindole-1,3-dione;hydride is O=C1c2ccccc2C(=O)N1Cl.[H-].[K+].
What is the InChIKey of potassium;2-chloroisoindole-1,3-dione;hydride?
The InChIKey is QUFIKUHBQSERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO2.K.H/c9-10-7(11)5-3-1-2-4-6(5)8(10)12;;/h1-4H;;/q;+1;-1.
What are the key properties of potassium;2-chloroisoindole-1,3-dione;hydride?
potassium;2-chloroisoindole-1,3-dione;hydride has a molecular weight of 221.68 g/mol, XLogP of -1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-chloroisoindole-1,3-dione;hydride is sourced from PubChem (CID 175533491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).