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

C8H8Br2N2O — CID 136732876

IUPAC2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
SMILESCN/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C8H8Br2N2O/c1-11-12-4-5-2-6(9)8(13)7(10)3-5/h2-4,11,13H,1H3/b12-4+
InChIKeyLTCRAXWRFFHDAB-UUILKARUSA-N
MW307.97 g/mol
LogP2.47
Rot. Bonds2

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

2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol (PubChem CID 136732876) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
PubChem CID136732876
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
SMILESCN/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C8H8Br2N2O/c1-11-12-4-5-2-6(9)8(13)7(10)3-5/h2-4,11,13H,1H3/b12-4+
InChIKeyLTCRAXWRFFHDAB-UUILKARUSA-N
XLogP2.47
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
CID 135676034
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
1-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135625883
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
CID 110507338
2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
CID 172972510
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 2789867
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-(diethylamino)benzamide
CID 2378017
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol (CID 136732876) is 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol is CN/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol?
The InChIKey is LTCRAXWRFFHDAB-UUILKARUSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c1-11-12-4-5-2-6(9)8(13)7(10)3-5/h2-4,11,13H,1H3/b12-4+.
What are the key properties of 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol has a molecular weight of 307.97 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136732876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).