3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol

C13H7Br3N2O4 — CID 3465048

IUPAC3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1cc(Br)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C13H7Br3N2O4/c14-7-1-6(13(20)11(2-7)18(21)22)5-17-12-9(15)3-8(19)4-10(12)16/h1-5,19-20H/b17-5+
InChIKeyIEEIKGOMAVNBDL-YAXRCOADSA-N
MW494.92 g/mol
LogP5.04
Rot. Bonds3

About 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol

3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol (PubChem CID 3465048) has the molecular formula C13H7Br3N2O4 and a molecular weight of 494.92 g/mol. Its IUPAC name is 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
PubChem CID3465048
Molecular FormulaC13H7Br3N2O4
Molecular Weight494.92 g/mol
Exact Mass491.80
IUPAC Name3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1cc(Br)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O
InChIInChI=1S/C13H7Br3N2O4/c14-7-1-6(13(20)11(2-7)18(21)22)5-17-12-9(15)3-8(19)4-10(12)16/h1-5,19-20H/b17-5+
InChIKeyIEEIKGOMAVNBDL-YAXRCOADSA-N
XLogP5.04
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.92
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]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

4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2,6-ditert-butylphenol
CID 135590064
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoic acid
CID 3302132
4-bromo-2-[(2,5-ditert-butylphenyl)iminomethyl]-6-nitrophenol
CID 136913238
4-bromo-2-nitro-6-[(Z)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135562926
[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 4300530
[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135684219
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 683751
1-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135921231
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]iminomethyl]-4-bromo-6-nitrophenol
CID 2753254
2-bromo-N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579521
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-chlorobenzamide
CID 135643467

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol?
The IUPAC name of 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol (CID 3465048) is 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol.
What is the SMILES notation for 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol?
The canonical SMILES for 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol is O=[N+]([O-])c1cc(Br)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O.
What is the InChIKey of 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol?
The InChIKey is IEEIKGOMAVNBDL-YAXRCOADSA-N. The full InChI is InChI=1S/C13H7Br3N2O4/c14-7-1-6(13(20)11(2-7)18(21)22)5-17-12-9(15)3-8(19)4-10(12)16/h1-5,19-20H/b17-5+.
What are the key properties of 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol?
3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol has a molecular weight of 494.92 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol is sourced from PubChem (CID 3465048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).