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

C13H8Br2F2N2O — CID 135576878

IUPAC2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1ccc(F)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-8-3-7(13(20)10(15)4-8)6-18-19-12-2-1-9(16)5-11(12)17/h1-6,19-20H/b18-6+
InChIKeyIAPMTHLXJJHBDI-NGYBGAFCSA-N
MW406.02 g/mol
LogP4.64
Rot. Bonds3

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

2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135576878) has the molecular formula C13H8Br2F2N2O and a molecular weight of 406.02 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID135576878
Molecular FormulaC13H8Br2F2N2O
Molecular Weight406.02 g/mol
Exact Mass403.90
IUPAC Name2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/Nc1ccc(F)cc1F
InChIInChI=1S/C13H8Br2F2N2O/c14-8-3-7(13(20)10(15)4-8)6-18-19-12-2-1-9(16)5-11(12)17/h1-6,19-20H/b18-6+
InChIKeyIAPMTHLXJJHBDI-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_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-fluorophenyl)imino]methyl}phenol
CID 710140
3,5-Dibromo-2-hydroxybenzaldehyde methyl(phenyl)hydrazone
CID 135458878
2,4-Dibromo-6-((2-fluoro-phenylimino)-methyl)-phenol
CID 1286581
2-Bromo-6-(pentafluorophenyl-hydrazonomethyl)-phenol
CID 135498004
2,4-dibromo-6-[(E)-(2-phenylhydrazinylidene)methyl]phenol
CID 135589407
2,4-Dibromo-6-[(Z)-{[3-(trifluoromethyl)phenyl]imino}methyl]phenol
CID 4566143
4-Bromo-2-[(E)-[(4-fluorophenyl)imino]methyl]-6-iodophenol
CID 1510733
4-bromo-2-{(E)-[(3,4-difluorophenyl)imino]methyl}phenol
CID 2731195
Phenol, 2,4-dibromo-6-[[(4-hydroxyphenyl)imino]methyl]-
CID 135452125
2-{(1E)-2-[(4-nitrophenyl)amino]-2-azavinyl}-4-bromophenol
CID 135559911
5-Bromo-2-hydroxybenzaldehyde phenylhydrazone
CID 135579027
2,4-dibromo-6-[(E)-[(4-nitrophenyl)hydrazono]methyl]phenol
CID 135607403

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (CID 135576878) is 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is IAPMTHLXJJHBDI-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H8Br2F2N2O/c14-8-3-7(13(20)10(15)4-8)6-18-19-12-2-1-9(16)5-11(12)17/h1-6,19-20H/b18-6+.
What are the key properties of 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(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 2,4-dibromo-6-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135576878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).