1,2-bis(3-bromo-5-nitrophenyl)hydrazine

C12H8Br2N4O4 — CID 176582999

IUPAC1,2-bis(3-bromo-5-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc(Br)cc(NNc2cc(Br)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8Br2N4O4/c13-7-1-9(5-11(3-7)17(19)20)15-16-10-2-8(14)4-12(6-10)18(21)22/h1-6,15-16H
InChIKeyWYRRQPHOFFDVKM-UHFFFAOYSA-N
MW432.03 g/mol
LogP4.47
Rot. Bonds5

About 1,2-bis(3-bromo-5-nitrophenyl)hydrazine

1,2-bis(3-bromo-5-nitrophenyl)hydrazine (PubChem CID 176582999) has the molecular formula C12H8Br2N4O4 and a molecular weight of 432.03 g/mol. Its IUPAC name is 1,2-bis(3-bromo-5-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1,2-bis(3-bromo-5-nitrophenyl)hydrazine
PubChem CID176582999
Molecular FormulaC12H8Br2N4O4
Molecular Weight432.03 g/mol
Exact Mass429.89
IUPAC Name1,2-bis(3-bromo-5-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc(Br)cc(NNc2cc(Br)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H8Br2N4O4/c13-7-1-9(5-11(3-7)17(19)20)15-16-10-2-8(14)4-12(6-10)18(21)22/h1-6,15-16H
InChIKeyWYRRQPHOFFDVKM-UHFFFAOYSA-N
XLogP4.47
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-nitroaniline;hydrochloride
CID 112756585
3-N-(3-bromo-5-methylphenyl)-5-nitrobenzene-1,3-diamine
CID 107580896
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
aniline;1-bromo-3,5-dinitrobenzene
CID 175293083
N-[(3-bromo-5-nitrophenyl)methyl]-4-chloroaniline
CID 103350487
3-bromo-5-nitrobenzaldehyde;methoxymethane
CID 176928747
1-bromo-3-nitrobenzene;zinc
CID 159421870
2-(3-bromo-5-nitrophenyl)-1,3-dioxolane
CID 121228647
1-bromo-3-ethylsulfinyl-5-nitrobenzene
CID 144952018
3-methyl-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)aniline
CID 112649328
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
CID 103588685
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-bromo-5-nitrophenyl)hydrazine?
The IUPAC name of 1,2-bis(3-bromo-5-nitrophenyl)hydrazine (CID 176582999) is 1,2-bis(3-bromo-5-nitrophenyl)hydrazine.
What is the SMILES notation for 1,2-bis(3-bromo-5-nitrophenyl)hydrazine?
The canonical SMILES for 1,2-bis(3-bromo-5-nitrophenyl)hydrazine is O=[N+]([O-])c1cc(Br)cc(NNc2cc(Br)cc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1,2-bis(3-bromo-5-nitrophenyl)hydrazine?
The InChIKey is WYRRQPHOFFDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N4O4/c13-7-1-9(5-11(3-7)17(19)20)15-16-10-2-8(14)4-12(6-10)18(21)22/h1-6,15-16H.
What are the key properties of 1,2-bis(3-bromo-5-nitrophenyl)hydrazine?
1,2-bis(3-bromo-5-nitrophenyl)hydrazine has a molecular weight of 432.03 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-bromo-5-nitrophenyl)hydrazine is sourced from PubChem (CID 176582999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).