2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C13H9Br2N3O3 — CID 135607403

IUPAC2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H9Br2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+
InChIKeyQMXBGGXVGBNEPK-FRKPEAEDSA-N
MW415.04 g/mol
LogP4.27
Rot. Bonds4

About 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135607403) has the molecular formula C13H9Br2N3O3 and a molecular weight of 415.04 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135607403
Molecular FormulaC13H9Br2N3O3
Molecular Weight415.04 g/mol
Exact Mass412.90
IUPAC Name2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H9Br2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+
InChIKeyQMXBGGXVGBNEPK-FRKPEAEDSA-N
XLogP4.27
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
N'-[(E)-(3,5-Dibromo-2-hydroxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135400297
4-Bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135971362
2,4-dibromo-6-[(E)-(2-phenylhydrazinylidene)methyl]phenol
CID 135589407
2-{(1E)-2-[(4-nitrophenyl)amino]-2-azavinyl}-4-bromophenol
CID 135559911
5-Bromo-2-hydroxybenzaldehyde phenylhydrazone
CID 135579027
4-bromo-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135706749
2-[(2-Amino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 136745167
2-bromo-6-[(E)-(phenylhydrazono)methyl]phenol
CID 137100862
2-bromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 137100863
N'-(3,5-dibromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 3090215
4-Bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 5215264

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135607403) is 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is QMXBGGXVGBNEPK-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Br2N3O3/c14-9-5-8(13(19)12(15)6-9)7-16-17-10-1-3-11(4-2-10)18(20)21/h1-7,17,19H/b16-7+.
What are the key properties of 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 415.04 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135607403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).