[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

C14H14BrN3O3 — CID 83136867

IUPAC[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cc(OCc2ccc([N+](=O)[O-])c(NN)c2)ccc1Br
InChIInChI=1S/C14H14BrN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-14(18(19)20)13(7-10)17-16/h2-7,17H,8,16H2,1H3
InChIKeySTLPKZZIKUSBCE-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.53
Rot. Bonds5

About [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 83136867) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID83136867
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cc(OCc2ccc([N+](=O)[O-])c(NN)c2)ccc1Br
InChIInChI=1S/C14H14BrN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-14(18(19)20)13(7-10)17-16/h2-7,17H,8,16H2,1H3
InChIKeySTLPKZZIKUSBCE-UHFFFAOYSA-N
XLogP3.53
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.53
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 [5-[(4-bromo-3-methylphenoxy)methyl]-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

[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
1-bromo-2-methyl-4-[(3-nitrophenyl)methoxy]benzene
CID 83132951
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
4-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
2-fluoro-5-[(3-methyl-4-nitrophenoxy)methyl]benzonitrile
CID 103758838
5-[(5-bromo-2-methylphenoxy)methyl]-N-methyl-2-nitroaniline
CID 107285483
4-[(4-bromo-3-methylphenoxy)methyl]benzamide
CID 81300987
1-bromo-4-[(4-chlorophenyl)methoxy]-2-methylbenzene
CID 83133451
1-bromo-4-[(3-ethoxyphenoxy)methyl]-2-nitrobenzene
CID 115558049
[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 116689933

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (CID 83136867) is [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is Cc1cc(OCc2ccc([N+](=O)[O-])c(NN)c2)ccc1Br.
What is the InChIKey of [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is STLPKZZIKUSBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-9-6-11(3-4-12(9)15)21-8-10-2-5-14(18(19)20)13(7-10)17-16/h2-7,17H,8,16H2,1H3.
What are the key properties of [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 352.19 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 83136867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).