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

C13H10BrN3O3 — CID 136913851

IUPAC2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C13H10BrN3O3/c14-12-7-9(1-6-13(12)18)8-15-16-10-2-4-11(5-3-10)17(19)20/h1-8,16,18H/b15-8-
InChIKeySGGKKXJJFIZGNF-NVNXTCNLSA-N
MW336.15 g/mol
LogP3.51
Rot. Bonds4

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

2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 136913851) has the molecular formula C13H10BrN3O3 and a molecular weight of 336.15 g/mol. Its IUPAC name is 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID136913851
Molecular FormulaC13H10BrN3O3
Molecular Weight336.15 g/mol
Exact Mass334.99
IUPAC Name2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C\c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C13H10BrN3O3/c14-12-7-9(1-6-13(12)18)8-15-16-10-2-4-11(5-3-10)17(19)20/h1-8,16,18H/b15-8-
InChIKeySGGKKXJJFIZGNF-NVNXTCNLSA-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_B(215)', '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

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
2-bromo-4-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 135683062
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 124605350
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
CID 177439192
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 136913851) is 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C\c2ccc(O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is SGGKKXJJFIZGNF-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H10BrN3O3/c14-12-7-9(1-6-13(12)18)8-15-16-10-2-4-11(5-3-10)17(19)20/h1-8,16,18H/b15-8-.
What are the key properties of 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
2-bromo-4-[(Z)-[(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 2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136913851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).