O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride

C7H9ClINO — CID 45158558

IUPACO-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1I
InChIInChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyVTIQMKPRPSMRJT-UHFFFAOYSA-N
MW285.51 g/mol
LogP2.10
Rot. Bonds2

About O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride

O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride (PubChem CID 45158558) has the molecular formula C7H9ClINO and a molecular weight of 285.51 g/mol. Its IUPAC name is O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride
PubChem CID45158558
Molecular FormulaC7H9ClINO
Molecular Weight285.51 g/mol
Exact Mass284.94
IUPAC NameO-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride
SMILESCl.NOCc1ccccc1I
InChIInChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKeyVTIQMKPRPSMRJT-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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 O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride (CID 45158558) is O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride is Cl.NOCc1ccccc1I.
What is the InChIKey of O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride?
The InChIKey is VTIQMKPRPSMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H.
What are the key properties of O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride?
O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride has a molecular weight of 285.51 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 45158558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).