2,4-dichloro-6-iodobenzonitrile

C7H2Cl2IN — CID 102368246

IUPAC2,4-dichloro-6-iodobenzonitrile
SMILESN#Cc1c(Cl)cc(Cl)cc1I
InChIInChI=1S/C7H2Cl2IN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKeyRAUZNWLVUSCDOM-UHFFFAOYSA-N
MW297.91 g/mol
LogP3.47
Rot. Bonds

About 2,4-dichloro-6-iodobenzonitrile

2,4-dichloro-6-iodobenzonitrile (PubChem CID 102368246) has the molecular formula C7H2Cl2IN and a molecular weight of 297.91 g/mol. Its IUPAC name is 2,4-dichloro-6-iodobenzonitrile.

Molecular Properties

Compound Name2,4-dichloro-6-iodobenzonitrile
PubChem CID102368246
Molecular FormulaC7H2Cl2IN
Molecular Weight297.91 g/mol
Exact Mass296.86
IUPAC Name2,4-dichloro-6-iodobenzonitrile
SMILESN#Cc1c(Cl)cc(Cl)cc1I
InChIInChI=1S/C7H2Cl2IN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKeyRAUZNWLVUSCDOM-UHFFFAOYSA-N
XLogP3.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 53.47
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-dichloro-6-iodobenzonitrile?
The IUPAC name of 2,4-dichloro-6-iodobenzonitrile (CID 102368246) is 2,4-dichloro-6-iodobenzonitrile.
What is the SMILES notation for 2,4-dichloro-6-iodobenzonitrile?
The canonical SMILES for 2,4-dichloro-6-iodobenzonitrile is N#Cc1c(Cl)cc(Cl)cc1I.
What is the InChIKey of 2,4-dichloro-6-iodobenzonitrile?
The InChIKey is RAUZNWLVUSCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2IN/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H.
What are the key properties of 2,4-dichloro-6-iodobenzonitrile?
2,4-dichloro-6-iodobenzonitrile has a molecular weight of 297.91 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-iodobenzonitrile is sourced from PubChem (CID 102368246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).