[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine

C13H12BrN3O3 — CID 80911199

IUPAC[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
SMILESCc1ccc(Oc2cccc(NN)c2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H12BrN3O3/c1-8-5-6-11(9(14)7-8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3
InChIKeySWLDKGDLDZJTSJ-UHFFFAOYSA-N
MW338.16 g/mol
LogP3.74
Rot. Bonds4

About [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine

[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine (PubChem CID 80911199) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
PubChem CID80911199
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine
SMILESCc1ccc(Oc2cccc(NN)c2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C13H12BrN3O3/c1-8-5-6-11(9(14)7-8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3
InChIKeySWLDKGDLDZJTSJ-UHFFFAOYSA-N
XLogP3.74
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 53.74
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'}

Analyze [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-chloro-5-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916452
[3-(4-chloro-2-methylphenoxy)-2-nitrophenyl]hydrazine
CID 80916758
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-(2-chloro-4-fluorophenoxy)-2-nitrophenyl]hydrazine
CID 80918331
[3-(3-ethylphenoxy)-2-nitrophenyl]hydrazine
CID 80911989
[3-(3,4-dichlorophenoxy)-2-nitrophenyl]hydrazine
CID 80920158
2-fluoro-6-(3-hydrazinyl-2-nitrophenoxy)benzonitrile
CID 80912334
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
2-bromo-1-(2-chloro-4-nitrophenoxy)-4-methylbenzene
CID 29032684
[3-(1,3-benzodioxol-5-yloxy)-2-nitrophenyl]hydrazine
CID 80909958
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine (CID 80911199) is [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine is Cc1ccc(Oc2cccc(NN)c2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine?
The InChIKey is SWLDKGDLDZJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-8-5-6-11(9(14)7-8)20-12-4-2-3-10(16-15)13(12)17(18)19/h2-7,16H,15H2,1H3.
What are the key properties of [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine?
[3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine has a molecular weight of 338.16 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-methylphenoxy)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80911199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).