4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol

C13H8BrN3O6 — CID 4308104

IUPAC4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H8BrN3O6/c14-8-3-7(13(19)11(4-8)17(22)23)6-15-10-5-9(16(20)21)1-2-12(10)18/h1-6,18-19H/b15-6+
InChIKeySGSPZRHSSKZDBN-GIDUJCDVSA-N
MW382.13 g/mol
LogP3.43
Rot. Bonds4

About 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol

4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol (PubChem CID 4308104) has the molecular formula C13H8BrN3O6 and a molecular weight of 382.13 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol
PubChem CID4308104
Molecular FormulaC13H8BrN3O6
Molecular Weight382.13 g/mol
Exact Mass380.96
IUPAC Name4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H8BrN3O6/c14-8-3-7(13(19)11(4-8)17(22)23)6-15-10-5-9(16(20)21)1-2-12(10)18/h1-6,18-19H/b15-6+
InChIKeySGSPZRHSSKZDBN-GIDUJCDVSA-N
XLogP3.43
TPSA139.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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'}

Analyze 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bromofenoxim
CID 86287521
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
2,4-Dibromo-6-{(E)-[(2-hydroxy-5-nitrophenyl)imino]methyl}phenol
CID 4020983
4-Nitro-2-{[(e)-phenylmethylidene]amino}phenol
CID 270036
4-Nitro-2-{(E)-[(3-nitrophenyl)methylidene]amino}phenol
CID 310081
2-Bromo-6-[(3-ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335185
2-{(E)-[(2-hydroxyphenyl)imino]methyl}-4-nitrophenol
CID 3252917
2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol
CID 25763
4-bromo-2-{(E)-[(2-fluoro-5-nitrophenyl)imino]methyl}phenol
CID 707848
5-Bromo-2-hydroxy-3-nitro-benzaldehyde O-methyl-oxime
CID 136110927
2-[(2-Amino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 136745167
4-Bromo-2-{[(4-bromophenyl)imino]methyl}-6-nitrophenol
CID 1042079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol (CID 4308104) is 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol?
The InChIKey is SGSPZRHSSKZDBN-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H8BrN3O6/c14-8-3-7(13(19)11(4-8)17(22)23)6-15-10-5-9(16(20)21)1-2-12(10)18/h1-6,18-19H/b15-6+.
What are the key properties of 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol?
4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol has a molecular weight of 382.13 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 4308104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).