benzonitrile;hypoiodous acid

C7H6INO — CID 174504508

IUPACbenzonitrile;hypoiodous acid
SMILESN#Cc1ccccc1.OI
InChIInChI=1S/C7H5N.HIO/c8-6-7-4-2-1-3-5-7;1-2/h1-5H;2H
InChIKeyUKWVCWREVWPCRO-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.89
Rot. Bonds

About benzonitrile;hypoiodous acid

benzonitrile;hypoiodous acid (PubChem CID 174504508) has the molecular formula C7H6INO and a molecular weight of 247.04 g/mol. Its IUPAC name is benzonitrile;hypoiodous acid.

Molecular Properties

Compound Namebenzonitrile;hypoiodous acid
PubChem CID174504508
Molecular FormulaC7H6INO
Molecular Weight247.04 g/mol
Exact Mass246.95
IUPAC Namebenzonitrile;hypoiodous acid
SMILESN#Cc1ccccc1.OI
InChIInChI=1S/C7H5N.HIO/c8-6-7-4-2-1-3-5-7;1-2/h1-5H;2H
InChIKeyUKWVCWREVWPCRO-UHFFFAOYSA-N
XLogP1.89
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(14N)benzonitrile
CID 102268532
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
sodium;benzonitrile;azide
CID 158967715
CID 134881879
CID 134881879
benzonitrile;sulfamide
CID 159924446
acetaldehyde;benzonitrile;hydrate
CID 174391399

Frequently Asked Questions

What is the IUPAC name of benzonitrile;hypoiodous acid?
The IUPAC name of benzonitrile;hypoiodous acid (CID 174504508) is benzonitrile;hypoiodous acid.
What is the SMILES notation for benzonitrile;hypoiodous acid?
The canonical SMILES for benzonitrile;hypoiodous acid is N#Cc1ccccc1.OI.
What is the InChIKey of benzonitrile;hypoiodous acid?
The InChIKey is UKWVCWREVWPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.HIO/c8-6-7-4-2-1-3-5-7;1-2/h1-5H;2H.
What are the key properties of benzonitrile;hypoiodous acid?
benzonitrile;hypoiodous acid has a molecular weight of 247.04 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;hypoiodous acid is sourced from PubChem (CID 174504508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).