2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride

C7H4Cl3NO — CID 2800164

IUPAC2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl3NO/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H
InChIKeyLXWQVTNZUIURFE-UHFFFAOYSA-N
MW224.47 g/mol
LogP3.37
Rot. Bonds1

About 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride

2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 2800164) has the molecular formula C7H4Cl3NO and a molecular weight of 224.47 g/mol. Its IUPAC name is 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID2800164
Molecular FormulaC7H4Cl3NO
Molecular Weight224.47 g/mol
Exact Mass222.94
IUPAC Name2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl3NO/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H
InChIKeyLXWQVTNZUIURFE-UHFFFAOYSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride (CID 2800164) is 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is LXWQVTNZUIURFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H.
What are the key properties of 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride?
2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 224.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 2800164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).