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

C13H8Br2F2N2O — CID 135548670

IUPAC2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C13H8Br2F2N2O/c14-9-3-7(4-10(15)13(9)20)6-18-19-12-2-1-8(16)5-11(12)17/h1-6,19-20H/b18-6+
InChIKeyVJRIUAJUARCHED-NGYBGAFCSA-N
MW406.02 g/mol
LogP4.64
Rot. Bonds3

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

2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135548670) has the molecular formula C13H8Br2F2N2O and a molecular weight of 406.02 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135548670
Molecular FormulaC13H8Br2F2N2O
Molecular Weight406.02 g/mol
Exact Mass403.90
IUPAC Name2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(/C=N/Nc2ccc(F)cc2F)cc1Br
InChIInChI=1S/C13H8Br2F2N2O/c14-9-3-7(4-10(15)13(9)20)6-18-19-12-2-1-8(16)5-11(12)17/h1-6,19-20H/b18-6+
InChIKeyVJRIUAJUARCHED-NGYBGAFCSA-N
XLogP4.64
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.64
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

N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
N-[(Z)-(7-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2,4-difluoroaniline
CID 9058269
5-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4654960
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135755003
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722
4-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 4288655
2-bromo-6-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenol
CID 136712180
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
2,4-difluoro-N-[(4-hexoxyphenyl)methylideneamino]aniline
CID 4155151
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-fluoroaniline
CID 9076261

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (CID 135548670) is 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(/C=N/Nc2ccc(F)cc2F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is VJRIUAJUARCHED-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O/c14-9-3-7(4-10(15)13(9)20)6-18-19-12-2-1-8(16)5-11(12)17/h1-6,19-20H/b18-6+.
What are the key properties of 2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 406.02 g/mol, XLogP of 4.64, 3 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)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135548670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).