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

C9H10Br2N2O — CID 135676284

IUPAC2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-13(2)12-5-6-3-7(10)9(14)8(11)4-6/h3-5,14H,1-2H3/b12-5+
InChIKeyPCHOKLAOZYDDGW-LFYBBSHMSA-N
MW322.00 g/mol
LogP2.81
Rot. Bonds2

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

2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol (PubChem CID 135676284) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol
PubChem CID135676284
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol
SMILESCN(C)/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-13(2)12-5-6-3-7(10)9(14)8(11)4-6/h3-5,14H,1-2H3/b12-5+
InChIKeyPCHOKLAOZYDDGW-LFYBBSHMSA-N
XLogP2.81
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.81
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol (CID 135676284) is 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol is CN(C)/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol?
The InChIKey is PCHOKLAOZYDDGW-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c1-13(2)12-5-6-3-7(10)9(14)8(11)4-6/h3-5,14H,1-2H3/b12-5+.
What are the key properties of 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol has a molecular weight of 322.00 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(dimethylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135676284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).