2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid

C8H11Br2N2O5P — CID 136577523

IUPAC2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
SMILESCNN=Cc1cc(Br)cc(Br)c1O.O=P(O)(O)O
InChIInChI=1S/C8H8Br2N2O.H3O4P/c1-11-12-4-5-2-6(9)3-7(10)8(5)13;1-5(2,3)4/h2-4,11,13H,1H3;(H3,1,2,3,4)
InChIKeyILQAIAADPWLKGK-UHFFFAOYSA-N
MW405.97 g/mol
LogP1.54
Rot. Bonds2

About 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid

2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid (PubChem CID 136577523) has the molecular formula C8H11Br2N2O5P and a molecular weight of 405.97 g/mol. Its IUPAC name is 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid.

Molecular Properties

Compound Name2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
PubChem CID136577523
Molecular FormulaC8H11Br2N2O5P
Molecular Weight405.97 g/mol
Exact Mass403.88
IUPAC Name2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
SMILESCNN=Cc1cc(Br)cc(Br)c1O.O=P(O)(O)O
InChIInChI=1S/C8H8Br2N2O.H3O4P/c1-11-12-4-5-2-6(9)3-7(10)8(5)13;1-5(2,3)4/h2-4,11,13H,1H3;(H3,1,2,3,4)
InChIKeyILQAIAADPWLKGK-UHFFFAOYSA-N
XLogP1.54
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-diphenylphosphorylacetamide
CID 135425020
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
CID 137035120
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid?
The IUPAC name of 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid (CID 136577523) is 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid.
What is the SMILES notation for 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid?
The canonical SMILES for 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid is CNN=Cc1cc(Br)cc(Br)c1O.O=P(O)(O)O.
What is the InChIKey of 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid?
The InChIKey is ILQAIAADPWLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O.H3O4P/c1-11-12-4-5-2-6(9)3-7(10)8(5)13;1-5(2,3)4/h2-4,11,13H,1H3;(H3,1,2,3,4).
What are the key properties of 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid?
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid has a molecular weight of 405.97 g/mol, XLogP of 1.54, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid is sourced from PubChem (CID 136577523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).