2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol

C13H8Br2N2O4 — CID 4020983

IUPAC2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C13H8Br2N2O4/c14-8-3-7(13(19)10(15)4-8)6-16-11-5-9(17(20)21)1-2-12(11)18/h1-6,18-19H/b16-6+
InChIKeyKACSQPKPAOKDBT-OMCISZLKSA-N
MW416.03 g/mol
LogP4.28
Rot. Bonds3

About 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol

2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol (PubChem CID 4020983) has the molecular formula C13H8Br2N2O4 and a molecular weight of 416.03 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol
PubChem CID4020983
Molecular FormulaC13H8Br2N2O4
Molecular Weight416.03 g/mol
Exact Mass413.89
IUPAC Name2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C13H8Br2N2O4/c14-8-3-7(13(19)10(15)4-8)6-16-11-5-9(17(20)21)1-2-12(11)18/h1-6,18-19H/b16-6+
InChIKeyKACSQPKPAOKDBT-OMCISZLKSA-N
XLogP4.28
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.03
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol 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-Bromo-4-[({3-nitro-2-methylphenyl}imino)methyl]phenol
CID 831223
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
2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol
CID 25763
2,4-dibromo-6-{(E)-[(2-hydroxyphenyl)imino]methyl}phenol
CID 1286577
4-bromo-2-{(E)-[(2-fluoro-5-nitrophenyl)imino]methyl}phenol
CID 707848
Phenol, 2,4-dibromo-6-[[(4-hydroxyphenyl)imino]methyl]-
CID 135452125
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 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol (CID 4020983) is 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)cc(Br)c2O)c1.
What is the InChIKey of 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is KACSQPKPAOKDBT-OMCISZLKSA-N. The full InChI is InChI=1S/C13H8Br2N2O4/c14-8-3-7(13(19)10(15)4-8)6-16-11-5-9(17(20)21)1-2-12(11)18/h1-6,18-19H/b16-6+.
What are the key properties of 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 416.03 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2-hydroxy-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 4020983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).