oxalonitrile;hydrochloride;hydroiodide

C2H2ClIN2 — CID 161106435

IUPACoxalonitrile;hydrochloride;hydroiodide
SMILESCl.I.N#CC#N
InChIInChI=1S/C2N2.ClH.HI/c3-1-2-4;;/h;2*1H
InChIKeyZPTPWVDXMYNAFX-UHFFFAOYSA-N
MW216.41 g/mol
LogP1.07
Rot. Bonds

About oxalonitrile;hydrochloride;hydroiodide

oxalonitrile;hydrochloride;hydroiodide (PubChem CID 161106435) has the molecular formula C2H2ClIN2 and a molecular weight of 216.41 g/mol. Its IUPAC name is oxalonitrile;hydrochloride;hydroiodide.

Molecular Properties

Compound Nameoxalonitrile;hydrochloride;hydroiodide
PubChem CID161106435
Molecular FormulaC2H2ClIN2
Molecular Weight216.41 g/mol
Exact Mass215.90
IUPAC Nameoxalonitrile;hydrochloride;hydroiodide
SMILESCl.I.N#CC#N
InChIInChI=1S/C2N2.ClH.HI/c3-1-2-4;;/h;2*1H
InChIKeyZPTPWVDXMYNAFX-UHFFFAOYSA-N
XLogP1.07
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 51.07
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

bis(oxalonitrile);hydrochloride
CID 88841544
oxalonitrile;hydrobromide
CID 86604310
krypton;oxalonitrile
CID 158797974
nickel;oxalonitrile;zinc
CID 160956168
chromium;nickel;oxalonitrile
CID 159271487
acetonitrile;titanium;tetrahydrochloride
CID 174375808
thiocyanic acid;hydrochloride;hydroiodide
CID 172734142
titanium;trihydrochloride;hydroiodide
CID 173377646
carbononitridic bromide
CID 160583865
cyanic acid
CID 540
chloroform;oxalonitrile;hydrobromide
CID 88658029
oxalonitrile;sulfane;trifluoroborane
CID 175034013

Frequently Asked Questions

What is the IUPAC name of oxalonitrile;hydrochloride;hydroiodide?
The IUPAC name of oxalonitrile;hydrochloride;hydroiodide (CID 161106435) is oxalonitrile;hydrochloride;hydroiodide.
What is the SMILES notation for oxalonitrile;hydrochloride;hydroiodide?
The canonical SMILES for oxalonitrile;hydrochloride;hydroiodide is Cl.I.N#CC#N.
What is the InChIKey of oxalonitrile;hydrochloride;hydroiodide?
The InChIKey is ZPTPWVDXMYNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2.ClH.HI/c3-1-2-4;;/h;2*1H.
What are the key properties of oxalonitrile;hydrochloride;hydroiodide?
oxalonitrile;hydrochloride;hydroiodide has a molecular weight of 216.41 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;hydrochloride;hydroiodide is sourced from PubChem (CID 161106435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).