2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol

C13H8ClI2NO — CID 4092564

IUPAC2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8ClI2NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyDGCXDRCRUCGQBK-REZTVBANSA-N
MW483.47 g/mol
LogP5.01
Rot. Bonds2

About 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol

2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol (PubChem CID 4092564) has the molecular formula C13H8ClI2NO and a molecular weight of 483.47 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
PubChem CID4092564
Molecular FormulaC13H8ClI2NO
Molecular Weight483.47 g/mol
Exact Mass482.84
IUPAC Name2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
SMILESOc1c(I)cc(I)cc1/C=N/c1cccc(Cl)c1
InChIInChI=1S/C13H8ClI2NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyDGCXDRCRUCGQBK-REZTVBANSA-N
XLogP5.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol?
The IUPAC name of 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol (CID 4092564) is 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol.
What is the SMILES notation for 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol?
The canonical SMILES for 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol is Oc1c(I)cc(I)cc1/C=N/c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol?
The InChIKey is DGCXDRCRUCGQBK-REZTVBANSA-N. The full InChI is InChI=1S/C13H8ClI2NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+.
What are the key properties of 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol?
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol has a molecular weight of 483.47 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol is sourced from PubChem (CID 4092564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).