(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine

C7H5BrN2O3 — CID 114385733

IUPAC(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cc(Br)ccc1/C=N/O
InChIInChI=1S/C7H5BrN2O3/c8-6-2-1-5(4-9-11)7(3-6)10(12)13/h1-4,11H/b9-4+
InChIKeyZLTOIUHNPLXEBN-RUDMXATFSA-N
MW245.03 g/mol
LogP2.17
Rot. Bonds2

About (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine

(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine (PubChem CID 114385733) has the molecular formula C7H5BrN2O3 and a molecular weight of 245.03 g/mol. Its IUPAC name is (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
PubChem CID114385733
Molecular FormulaC7H5BrN2O3
Molecular Weight245.03 g/mol
Exact Mass243.95
IUPAC Name(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
SMILESO=[N+]([O-])c1cc(Br)ccc1/C=N/O
InChIInChI=1S/C7H5BrN2O3/c8-6-2-1-5(4-9-11)7(3-6)10(12)13/h1-4,11H/b9-4+
InChIKeyZLTOIUHNPLXEBN-RUDMXATFSA-N
XLogP2.17
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 52.17
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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Related Compounds

(E)-4-(4-bromo-2-nitrophenyl)but-3-en-2-one
CID 114385821
(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]butanal
CID 114385835
(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine
CID 114385854
4-bromo-1-[(Z)-2-(chloromethyl)but-1-enyl]-2-nitrobenzene
CID 114385842
(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 114385867
5-bromo-2-nitrobenzaldehyde;hydrobromide
CID 175061203
4-bromo-N-(4-bromo-2-nitrophenyl)-N-ethenyl-2-nitroaniline
CID 175624339
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
CID 140870774
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
ethyl 2-[(4-bromo-2-nitrophenyl)methylidene]butanoate
CID 168984405
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 73053788
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 136863460

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine (CID 114385733) is (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine is O=[N+]([O-])c1cc(Br)ccc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine?
The InChIKey is ZLTOIUHNPLXEBN-RUDMXATFSA-N. The full InChI is InChI=1S/C7H5BrN2O3/c8-6-2-1-5(4-9-11)7(3-6)10(12)13/h1-4,11H/b9-4+.
What are the key properties of (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine?
(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine has a molecular weight of 245.03 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 114385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).