[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine

C13H11N3O5 — CID 80909958

IUPAC[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Oc2ccc3c(c2)OCO3)c1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O5/c14-15-9-2-1-3-11(13(9)16(17)18)21-8-4-5-10-12(6-8)20-7-19-10/h1-6,15H,7,14H2
InChIKeyLHOFHJWSQAZPNH-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.40
Rot. Bonds4

About [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine

[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine (PubChem CID 80909958) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
PubChem CID80909958
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(Oc2ccc3c(c2)OCO3)c1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O5/c14-15-9-2-1-3-11(13(9)16(17)18)21-8-4-5-10-12(6-8)20-7-19-10/h1-6,15H,7,14H2
InChIKeyLHOFHJWSQAZPNH-UHFFFAOYSA-N
XLogP2.40
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.40
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

[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
CID 80911989
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80911199
[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
3-[3-(dimethylamino)phenoxy]-N-methyl-2-nitroaniline
CID 80879549
2-(1,3-benzodioxol-5-yloxy)-5-nitrobenzaldehyde
CID 28888032
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-nitroaniline
CID 60504910
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
5-(1,3-benzodioxol-5-yloxy)-1-methyl-3-nitro-1,2,4-triazole
CID 5299575
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine (CID 80909958) is [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine is NNc1cccc(Oc2ccc3c(c2)OCO3)c1[N+](=O)[O-].
What is the InChIKey of [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine?
The InChIKey is LHOFHJWSQAZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c14-15-9-2-1-3-11(13(9)16(17)18)21-8-4-5-10-12(6-8)20-7-19-10/h1-6,15H,7,14H2.
What are the key properties of [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine?
[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine has a molecular weight of 289.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80909958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).