[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine

C13H11Br2N3O3 — CID 64719785

IUPAC[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O3/c14-9-1-4-13(11(15)6-9)21-7-8-5-10(18(19)20)2-3-12(8)17-16/h1-6,17H,7,16H2
InChIKeyYPQAHIMIEHILNV-UHFFFAOYSA-N
MW417.06 g/mol
LogP3.98
Rot. Bonds5

About [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine

[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine (PubChem CID 64719785) has the molecular formula C13H11Br2N3O3 and a molecular weight of 417.06 g/mol. Its IUPAC name is [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine
PubChem CID64719785
Molecular FormulaC13H11Br2N3O3
Molecular Weight417.06 g/mol
Exact Mass414.92
IUPAC Name[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O3/c14-9-1-4-13(11(15)6-9)21-7-8-5-10(18(19)20)2-3-12(8)17-16/h1-6,17H,7,16H2
InChIKeyYPQAHIMIEHILNV-UHFFFAOYSA-N
XLogP3.98
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 53.98
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

2,4-dibromo-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 63492407
[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
CID 107170564
2,4-dibromo-N-[(2-chloro-5-nitrophenyl)methyl]aniline
CID 43683133
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 114672725
2-chloro-1-(2,4-dibromophenoxy)-4-nitrobenzene
CID 5161397
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
CID 63529440
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
2-(2-bromo-4-nitrophenoxy)ethanamine;hydrochloride
CID 138985745

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine (CID 64719785) is [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine is NNc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1Br.
What is the InChIKey of [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine?
The InChIKey is YPQAHIMIEHILNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O3/c14-9-1-4-13(11(15)6-9)21-7-8-5-10(18(19)20)2-3-12(8)17-16/h1-6,17H,7,16H2.
What are the key properties of [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine?
[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine has a molecular weight of 417.06 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 64719785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).