N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine

C7H4Cl3NO — CID 73410829

IUPACN-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine
SMILESON=Cc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl3NO/c8-5-1-2-6(9)7(10)4(5)3-11-12/h1-3,12H
InChIKeyRNYBEYZTEYTOEB-UHFFFAOYSA-N
MW224.47 g/mol
LogP3.45
Rot. Bonds1

About N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine

N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine (PubChem CID 73410829) has the molecular formula C7H4Cl3NO and a molecular weight of 224.47 g/mol. Its IUPAC name is N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine
PubChem CID73410829
Molecular FormulaC7H4Cl3NO
Molecular Weight224.47 g/mol
Exact Mass222.94
IUPAC NameN-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine
SMILESON=Cc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C7H4Cl3NO/c8-5-1-2-6(9)7(10)4(5)3-11-12/h1-3,12H
InChIKeyRNYBEYZTEYTOEB-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine (CID 73410829) is N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine is ON=Cc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine?
The InChIKey is RNYBEYZTEYTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3NO/c8-5-1-2-6(9)7(10)4(5)3-11-12/h1-3,12H.
What are the key properties of N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine?
N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine has a molecular weight of 224.47 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,6-trichlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 73410829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).