(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine

C12H9N3O4 — CID 5346057

IUPAC(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2)nc1
InChIInChI=1S/C12H9N3O4/c16-14-7-9-1-4-11(5-2-9)19-12-6-3-10(8-13-12)15(17)18/h1-8,16H/b14-7+
InChIKeyZUGNZWOOATZCJI-VGOFMYFVSA-N
MW259.22 g/mol
LogP2.59
Rot. Bonds4

About (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine (PubChem CID 5346057) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine
PubChem CID5346057
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2)nc1
InChIInChI=1S/C12H9N3O4/c16-14-7-9-1-4-11(5-2-9)19-12-6-3-10(8-13-12)15(17)18/h1-8,16H/b14-7+
InChIKeyZUGNZWOOATZCJI-VGOFMYFVSA-N
XLogP2.59
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Cb-103
CID 2735289
2-(2-Hydroxyethoxy)-5-nitropyridine
CID 587937
2-(4-Fluorophenoxy)-3-nitropyridine
CID 2737458
6-Phenoxy-3-pyridinamine
CID 212856
2-(2,4-Difluorophenoxy)-3-nitropyridine
CID 2737038
2-(2-Fluorophenoxy)-3-nitropyridine
CID 2737457
3-[(4-Nitrophenyl)methoxy]pyridine
CID 1503576
5-Nitro-2-(3-pyridyloxy)pyridine
CID 272939
2-(4-Benzyloxyphenoxy)-5-nitropyridine
CID 2799698
Orm-10103
CID 17978512
5-Nitro-2-phenoxypyridine
CID 3252371
2-{4-[(5-Nitro-2-pyridyl)oxy]phenyl}acetonitrile
CID 2800239

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine (CID 5346057) is (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine is O=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2)nc1.
What is the InChIKey of (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine?
The InChIKey is ZUGNZWOOATZCJI-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-14-7-9-1-4-11(5-2-9)19-12-6-3-10(8-13-12)15(17)18/h1-8,16H/b14-7+.
What are the key properties of (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine has a molecular weight of 259.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 5346057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).