(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine

C7H5Cl2NO — CID 6434542

IUPAC(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeyONJQBRVMFRQQIG-ONNFQVAWSA-N
MW190.03 g/mol
LogP2.80
Rot. Bonds1

About (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine

(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine (PubChem CID 6434542) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
PubChem CID6434542
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeyONJQBRVMFRQQIG-ONNFQVAWSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.80
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine (CID 6434542) is (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine is O/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine?
The InChIKey is ONJQBRVMFRQQIG-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+.
What are the key properties of (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine?
(NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine has a molecular weight of 190.03 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6434542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).