(5-chloro-2-iodophenyl)-iodoborinic acid

C6H4BClI2O — CID 90090628

IUPAC(5-chloro-2-iodophenyl)-iodoborinic acid
SMILESOB(I)c1cc(Cl)ccc1I
InChIInChI=1S/C6H4BClI2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H
InChIKeyGGQZWIZNOYJXJU-UHFFFAOYSA-N
MW392.17 g/mol
LogP2.07
Rot. Bonds1

About (5-chloro-2-iodophenyl)-iodoborinic acid

(5-chloro-2-iodophenyl)-iodoborinic acid (PubChem CID 90090628) has the molecular formula C6H4BClI2O and a molecular weight of 392.17 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-iodoborinic acid.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-iodoborinic acid
PubChem CID90090628
Molecular FormulaC6H4BClI2O
Molecular Weight392.17 g/mol
Exact Mass391.81
IUPAC Name(5-chloro-2-iodophenyl)-iodoborinic acid
SMILESOB(I)c1cc(Cl)ccc1I
InChIInChI=1S/C6H4BClI2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H
InChIKeyGGQZWIZNOYJXJU-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-iodoborinic acid?
The IUPAC name of (5-chloro-2-iodophenyl)-iodoborinic acid (CID 90090628) is (5-chloro-2-iodophenyl)-iodoborinic acid.
What is the SMILES notation for (5-chloro-2-iodophenyl)-iodoborinic acid?
The canonical SMILES for (5-chloro-2-iodophenyl)-iodoborinic acid is OB(I)c1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)-iodoborinic acid?
The InChIKey is GGQZWIZNOYJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BClI2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,11H.
What are the key properties of (5-chloro-2-iodophenyl)-iodoborinic acid?
(5-chloro-2-iodophenyl)-iodoborinic acid has a molecular weight of 392.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-iodoborinic acid is sourced from PubChem (CID 90090628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).