(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine

C7H5ClN2O3 — CID 6898724

IUPAC(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/O)c1
InChIInChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+
InChIKeyBCVYAFHZIZEYLS-RUDMXATFSA-N
MW200.58 g/mol
LogP2.06
Rot. Bonds2

About (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine

(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine (PubChem CID 6898724) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
PubChem CID6898724
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=N/O)c1
InChIInChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+
InChIKeyBCVYAFHZIZEYLS-RUDMXATFSA-N
XLogP2.06
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine (CID 6898724) is (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine is O=[N+]([O-])c1ccc(Cl)c(/C=N/O)c1.
What is the InChIKey of (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is BCVYAFHZIZEYLS-RUDMXATFSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+.
What are the key properties of (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine?
(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 200.58 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6898724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).