2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

C13H7Br2Cl3N2O — CID 135717168

IUPAC2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Br2Cl3N2O/c14-7-1-6(13(21)9(15)2-7)5-19-20-12-10(17)3-8(16)4-11(12)18/h1-5,20-21H/b19-5+
InChIKeyVBWFWBTWJMGRCD-PTXOJBNSSA-N
MW473.38 g/mol
LogP6.32
Rot. Bonds3

About 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135717168) has the molecular formula C13H7Br2Cl3N2O and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135717168
Molecular FormulaC13H7Br2Cl3N2O
Molecular Weight473.38 g/mol
Exact Mass469.80
IUPAC Name2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Br2Cl3N2O/c14-7-1-6(13(21)9(15)2-7)5-19-20-12-10(17)3-8(16)4-11(12)18/h1-5,20-21H/b19-5+
InChIKeyVBWFWBTWJMGRCD-PTXOJBNSSA-N
XLogP6.32
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
CID 4566140
3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 3662486
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
4-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 2841375
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
5-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 136688463
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361735
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol (CID 135717168) is 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is VBWFWBTWJMGRCD-PTXOJBNSSA-N. The full InChI is InChI=1S/C13H7Br2Cl3N2O/c14-7-1-6(13(21)9(15)2-7)5-19-20-12-10(17)3-8(16)4-11(12)18/h1-5,20-21H/b19-5+.
What are the key properties of 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 473.38 g/mol, XLogP of 6.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135717168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).