[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine

C12H10N4O5 — CID 80912353

IUPAC[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
SMILESNNc1cc(Oc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O5/c13-14-8-4-10(16(19)20)7-12(5-8)21-11-3-1-2-9(6-11)15(17)18/h1-7,14H,13H2
InChIKeyGYLBIMXHXOOSDD-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.58
Rot. Bonds5

About [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine

[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine (PubChem CID 80912353) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
PubChem CID80912353
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
SMILESNNc1cc(Oc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O5/c13-14-8-4-10(16(19)20)7-12(5-8)21-11-3-1-2-9(6-11)15(17)18/h1-7,14H,13H2
InChIKeyGYLBIMXHXOOSDD-UHFFFAOYSA-N
XLogP2.58
TPSA133.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537
[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
CID 80906532
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
N-methyl-3-nitro-5-(3-propan-2-ylphenoxy)aniline
CID 80865691
[3-[3-(methylamino)-5-nitrophenoxy]phenyl]methanol
CID 80872239
3-(3-fluorophenoxy)-5-nitro-N-propylaniline
CID 80865059
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
3-[3-(ethylamino)-5-nitrophenoxy]benzonitrile
CID 80865968
1-(iodomethyl)-3-(3-nitrophenoxy)benzene
CID 166790575

Frequently Asked Questions

What is the IUPAC name of [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine?
The IUPAC name of [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine (CID 80912353) is [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine.
What is the SMILES notation for [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine?
The canonical SMILES for [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine is NNc1cc(Oc2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine?
The InChIKey is GYLBIMXHXOOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c13-14-8-4-10(16(19)20)7-12(5-8)21-11-3-1-2-9(6-11)15(17)18/h1-7,14H,13H2.
What are the key properties of [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine?
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine has a molecular weight of 290.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine is sourced from PubChem (CID 80912353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).