1-iodo-4-nitrosobenzene

C6H4INO — CID 643580

IUPAC1-iodo-4-nitrosobenzene
SMILESO=Nc1ccc(I)cc1
InChIInChI=1S/C6H4INO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyOORNJEMTTOSEKE-UHFFFAOYSA-N
MW233.01 g/mol
LogP2.69
Rot. Bonds1

About 1-iodo-4-nitrosobenzene

1-iodo-4-nitrosobenzene (PubChem CID 643580) has the molecular formula C6H4INO and a molecular weight of 233.01 g/mol. Its IUPAC name is 1-iodo-4-nitrosobenzene.

Molecular Properties

Compound Name1-iodo-4-nitrosobenzene
PubChem CID643580
Molecular FormulaC6H4INO
Molecular Weight233.01 g/mol
Exact Mass232.93
IUPAC Name1-iodo-4-nitrosobenzene
SMILESO=Nc1ccc(I)cc1
InChIInChI=1S/C6H4INO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKeyOORNJEMTTOSEKE-UHFFFAOYSA-N
XLogP2.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-nitrosobenzene?
The IUPAC name of 1-iodo-4-nitrosobenzene (CID 643580) is 1-iodo-4-nitrosobenzene.
What is the SMILES notation for 1-iodo-4-nitrosobenzene?
The canonical SMILES for 1-iodo-4-nitrosobenzene is O=Nc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-nitrosobenzene?
The InChIKey is OORNJEMTTOSEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO/c7-5-1-3-6(8-9)4-2-5/h1-4H.
What are the key properties of 1-iodo-4-nitrosobenzene?
1-iodo-4-nitrosobenzene has a molecular weight of 233.01 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-nitrosobenzene is sourced from PubChem (CID 643580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).