(2-cyanophenyl) hypoiodite

C7H4INO — CID 154315791

IUPAC(2-cyanophenyl) hypoiodite
SMILESN#Cc1ccccc1OI
InChIInChI=1S/C7H4INO/c8-10-7-4-2-1-3-6(7)5-9/h1-4H
InChIKeyAXUUVBIJDWNVSU-UHFFFAOYSA-N
MW245.02 g/mol
LogP2.29
Rot. Bonds1

About (2-cyanophenyl) hypoiodite

(2-cyanophenyl) hypoiodite (PubChem CID 154315791) has the molecular formula C7H4INO and a molecular weight of 245.02 g/mol. Its IUPAC name is (2-cyanophenyl) hypoiodite.

Molecular Properties

Compound Name(2-cyanophenyl) hypoiodite
PubChem CID154315791
Molecular FormulaC7H4INO
Molecular Weight245.02 g/mol
Exact Mass244.93
IUPAC Name(2-cyanophenyl) hypoiodite
SMILESN#Cc1ccccc1OI
InChIInChI=1S/C7H4INO/c8-10-7-4-2-1-3-6(7)5-9/h1-4H
InChIKeyAXUUVBIJDWNVSU-UHFFFAOYSA-N
XLogP2.29
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 52.29
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

2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-prop-2-ynoxybenzonitrile
CID 11040948
2-(cyanomethoxy)benzonitrile
CID 4156437
2-(trideuteriomethoxy)benzonitrile
CID 155291874
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-(methoxymethoxy)benzonitrile
CID 10352018
2-(1-cyanoethoxy)benzonitrile
CID 60644293
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl) hypoiodite?
The IUPAC name of (2-cyanophenyl) hypoiodite (CID 154315791) is (2-cyanophenyl) hypoiodite.
What is the SMILES notation for (2-cyanophenyl) hypoiodite?
The canonical SMILES for (2-cyanophenyl) hypoiodite is N#Cc1ccccc1OI.
What is the InChIKey of (2-cyanophenyl) hypoiodite?
The InChIKey is AXUUVBIJDWNVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4INO/c8-10-7-4-2-1-3-6(7)5-9/h1-4H.
What are the key properties of (2-cyanophenyl) hypoiodite?
(2-cyanophenyl) hypoiodite has a molecular weight of 245.02 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl) hypoiodite is sourced from PubChem (CID 154315791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).