4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C13H10BrN3O3 — CID 135559911

IUPAC4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H10BrN3O3/c14-10-1-6-13(18)9(7-10)8-15-16-11-2-4-12(5-3-11)17(19)20/h1-8,16,18H/b15-8+
InChIKeyGKLPOJYPBQUHCC-OVCLIPMQSA-N
MW336.15 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135559911) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135559911
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H10BrN3O3/c14-10-1-6-13(18)9(7-10)8-15-16-11-2-4-12(5-3-11)17(19)20/h1-8,16,18H/b15-8+
InChIKeyGKLPOJYPBQUHCC-OVCLIPMQSA-N
XLogP3.51
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.51
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
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Bromo-2-tert-butyl-6-[[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135971362
4-Hydroxybenzaldehyde, 4-nitrophenylhydrazone
CID 135620071
N'-(5-bromo-2-hydroxybenzylidene)-3-nitrobenzohydrazide
CID 86261406
N'-(5-Bromo-2-hydroxybenzylidene)-4-nitrobenzohydrazide
CID 135604310
2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
CID 86261386
4-nitro-2-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}phenol
CID 135403141
2,4-dibromo-6-[(E)-(2-phenylhydrazinylidene)methyl]phenol
CID 135589407
2,4-Dihydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135403173
4-bromo-2-{(E)-[(2-fluoro-5-nitrophenyl)imino]methyl}phenol
CID 707848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135559911) is 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is GKLPOJYPBQUHCC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-10-1-6-13(18)9(7-10)8-15-16-11-2-4-12(5-3-11)17(19)20/h1-8,16,18H/b15-8+.
What are the key properties of 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 336.15 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135559911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).