2-(hydroxyiminomethyl)-6-iodophenol

C7H6INO2 — CID 136960294

IUPAC2-(hydroxyiminomethyl)-6-iodophenol
SMILESON=Cc1cccc(I)c1O
InChIInChI=1S/C7H6INO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-4,10-11H
InChIKeyJATYGRHEDAOBKU-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.80
Rot. Bonds1

About 2-(hydroxyiminomethyl)-6-iodophenol

2-(hydroxyiminomethyl)-6-iodophenol (PubChem CID 136960294) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 2-(hydroxyiminomethyl)-6-iodophenol.

Molecular Properties

Compound Name2-(hydroxyiminomethyl)-6-iodophenol
PubChem CID136960294
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name2-(hydroxyiminomethyl)-6-iodophenol
SMILESON=Cc1cccc(I)c1O
InChIInChI=1S/C7H6INO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-4,10-11H
InChIKeyJATYGRHEDAOBKU-UHFFFAOYSA-N
XLogP1.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.03
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyiminomethyl)-6-iodophenol?
The IUPAC name of 2-(hydroxyiminomethyl)-6-iodophenol (CID 136960294) is 2-(hydroxyiminomethyl)-6-iodophenol.
What is the SMILES notation for 2-(hydroxyiminomethyl)-6-iodophenol?
The canonical SMILES for 2-(hydroxyiminomethyl)-6-iodophenol is ON=Cc1cccc(I)c1O.
What is the InChIKey of 2-(hydroxyiminomethyl)-6-iodophenol?
The InChIKey is JATYGRHEDAOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-4,10-11H.
What are the key properties of 2-(hydroxyiminomethyl)-6-iodophenol?
2-(hydroxyiminomethyl)-6-iodophenol has a molecular weight of 263.03 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyiminomethyl)-6-iodophenol is sourced from PubChem (CID 136960294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).