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

C14H14BrN3O3 — CID 62244154

IUPAC[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1ccc(OCc2ccc(NN)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-9-2-5-14(11(15)6-9)21-8-10-3-4-12(17-16)13(7-10)18(19)20/h2-7,17H,8,16H2,1H3
InChIKeyYMYKBVSBUYYUOK-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.53
Rot. Bonds5

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

[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 62244154) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID62244154
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1ccc(OCc2ccc(NN)c([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C14H14BrN3O3/c1-9-2-5-14(11(15)6-9)21-8-10-3-4-12(17-16)13(7-10)18(19)20/h2-7,17H,8,16H2,1H3
InChIKeyYMYKBVSBUYYUOK-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'}

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Related Compounds

[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
1-[(4-bromo-3-nitrophenyl)methoxy]-2-methoxy-4-methylbenzene
CID 115557967
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
[4-[(3-bromophenyl)methoxymethyl]-2-nitrophenyl]hydrazine
CID 82805450
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 83136867

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (CID 62244154) is [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is Cc1ccc(OCc2ccc(NN)c([N+](=O)[O-])c2)c(Br)c1.
What is the InChIKey of [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is YMYKBVSBUYYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-9-2-5-14(11(15)6-9)21-8-10-3-4-12(17-16)13(7-10)18(19)20/h2-7,17H,8,16H2,1H3.
What are the key properties of [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
[4-[(2-bromo-4-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 [4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 62244154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).