2,4-diiodobenzonitrile

C7H3I2N — CID 11199048

IUPAC2,4-diiodobenzonitrile
SMILESN#Cc1ccc(I)cc1I
InChIInChI=1S/C7H3I2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyACORQIHSLBXYHF-UHFFFAOYSA-N
MW354.92 g/mol
LogP2.77
Rot. Bonds

About 2,4-diiodobenzonitrile

2,4-diiodobenzonitrile (PubChem CID 11199048) has the molecular formula C7H3I2N and a molecular weight of 354.92 g/mol. Its IUPAC name is 2,4-diiodobenzonitrile.

Molecular Properties

Compound Name2,4-diiodobenzonitrile
PubChem CID11199048
Molecular FormulaC7H3I2N
Molecular Weight354.92 g/mol
Exact Mass354.84
IUPAC Name2,4-diiodobenzonitrile
SMILESN#Cc1ccc(I)cc1I
InChIInChI=1S/C7H3I2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKeyACORQIHSLBXYHF-UHFFFAOYSA-N
XLogP2.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diiodobenzonitrile?
The IUPAC name of 2,4-diiodobenzonitrile (CID 11199048) is 2,4-diiodobenzonitrile.
What is the SMILES notation for 2,4-diiodobenzonitrile?
The canonical SMILES for 2,4-diiodobenzonitrile is N#Cc1ccc(I)cc1I.
What is the InChIKey of 2,4-diiodobenzonitrile?
The InChIKey is ACORQIHSLBXYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H.
What are the key properties of 2,4-diiodobenzonitrile?
2,4-diiodobenzonitrile has a molecular weight of 354.92 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodobenzonitrile is sourced from PubChem (CID 11199048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).