(3-nitro-5-phenylmethoxyphenyl)hydrazine

C13H13N3O3 — CID 80910196

IUPAC(3-nitro-5-phenylmethoxyphenyl)hydrazine
SMILESNNc1cc(OCc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c14-15-11-6-12(16(17)18)8-13(7-11)19-9-10-4-2-1-3-5-10/h1-8,15H,9,14H2
InChIKeyXSJAIOSLWNSDFY-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.46
Rot. Bonds5

About (3-nitro-5-phenylmethoxyphenyl)hydrazine

(3-nitro-5-phenylmethoxyphenyl)hydrazine (PubChem CID 80910196) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is (3-nitro-5-phenylmethoxyphenyl)hydrazine.

Molecular Properties

Compound Name(3-nitro-5-phenylmethoxyphenyl)hydrazine
PubChem CID80910196
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name(3-nitro-5-phenylmethoxyphenyl)hydrazine
SMILESNNc1cc(OCc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c14-15-11-6-12(16(17)18)8-13(7-11)19-9-10-4-2-1-3-5-10/h1-8,15H,9,14H2
InChIKeyXSJAIOSLWNSDFY-UHFFFAOYSA-N
XLogP2.46
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
(3-nitro-5-pent-4-enoxyphenyl)hydrazine
CID 80922666
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514

Frequently Asked Questions

What is the IUPAC name of (3-nitro-5-phenylmethoxyphenyl)hydrazine?
The IUPAC name of (3-nitro-5-phenylmethoxyphenyl)hydrazine (CID 80910196) is (3-nitro-5-phenylmethoxyphenyl)hydrazine.
What is the SMILES notation for (3-nitro-5-phenylmethoxyphenyl)hydrazine?
The canonical SMILES for (3-nitro-5-phenylmethoxyphenyl)hydrazine is NNc1cc(OCc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-5-phenylmethoxyphenyl)hydrazine?
The InChIKey is XSJAIOSLWNSDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-15-11-6-12(16(17)18)8-13(7-11)19-9-10-4-2-1-3-5-10/h1-8,15H,9,14H2.
What are the key properties of (3-nitro-5-phenylmethoxyphenyl)hydrazine?
(3-nitro-5-phenylmethoxyphenyl)hydrazine has a molecular weight of 259.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-5-phenylmethoxyphenyl)hydrazine is sourced from PubChem (CID 80910196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).