bis(4-cyanophenyl)iodanium chloride

C14H8ClIN2 — CID 172735512

IUPACbis(4-cyanophenyl)iodanium chloride
SMILESN#Cc1ccc([I+]c2ccc(C#N)cc2)cc1.[Cl-]
InChIInChI=1S/C14H8IN2.ClH/c16-9-11-1-5-13(6-2-11)15-14-7-3-12(10-17)4-8-14;/h1-8H;1H/q+1;/p-1
InChIKeyIJKOVMXJXAIYGM-UHFFFAOYSA-M
MW366.59 g/mol
LogP-3.44
Rot. Bonds2

About bis(4-cyanophenyl)iodanium chloride

bis(4-cyanophenyl)iodanium chloride (PubChem CID 172735512) has the molecular formula C14H8ClIN2 and a molecular weight of 366.59 g/mol. Its IUPAC name is bis(4-cyanophenyl)iodanium chloride.

Molecular Properties

Compound Namebis(4-cyanophenyl)iodanium chloride
PubChem CID172735512
Molecular FormulaC14H8ClIN2
Molecular Weight366.59 g/mol
Exact Mass365.94
IUPAC Namebis(4-cyanophenyl)iodanium chloride
SMILESN#Cc1ccc([I+]c2ccc(C#N)cc2)cc1.[Cl-]
InChIInChI=1S/C14H8IN2.ClH/c16-9-11-1-5-13(6-2-11)15-14-7-3-12(10-17)4-8-14;/h1-8H;1H/q+1;/p-1
InChIKeyIJKOVMXJXAIYGM-UHFFFAOYSA-M
XLogP-3.44
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 5-3.44
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

azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(2-sulfanylethynyl)benzonitrile
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bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
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4-amino(13C)benzonitrile
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CID 139265768
4-hydroxybenzonitrile
CID 53435365
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489
4-pyridin-4-ylbenzonitrile
CID 4184629
(14N)benzonitrile
CID 102268532
CID 123450451
CID 123450451
azulene-6-carbonitrile
CID 91533837

Frequently Asked Questions

What is the IUPAC name of bis(4-cyanophenyl)iodanium chloride?
The IUPAC name of bis(4-cyanophenyl)iodanium chloride (CID 172735512) is bis(4-cyanophenyl)iodanium chloride.
What is the SMILES notation for bis(4-cyanophenyl)iodanium chloride?
The canonical SMILES for bis(4-cyanophenyl)iodanium chloride is N#Cc1ccc([I+]c2ccc(C#N)cc2)cc1.[Cl-].
What is the InChIKey of bis(4-cyanophenyl)iodanium chloride?
The InChIKey is IJKOVMXJXAIYGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8IN2.ClH/c16-9-11-1-5-13(6-2-11)15-14-7-3-12(10-17)4-8-14;/h1-8H;1H/q+1;/p-1.
What are the key properties of bis(4-cyanophenyl)iodanium chloride?
bis(4-cyanophenyl)iodanium chloride has a molecular weight of 366.59 g/mol, XLogP of -3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyanophenyl)iodanium chloride is sourced from PubChem (CID 172735512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).