2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol

C13H8Br3NO — CID 1286585

IUPAC2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(Br)c1
InChIInChI=1S/C13H8Br3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyKAKDXCHSIBMPGM-REZTVBANSA-N
MW433.93 g/mol
LogP5.43
Rot. Bonds2

About 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol

2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol (PubChem CID 1286585) has the molecular formula C13H8Br3NO and a molecular weight of 433.93 g/mol. Its IUPAC name is 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
PubChem CID1286585
Molecular FormulaC13H8Br3NO
Molecular Weight433.93 g/mol
Exact Mass430.82
IUPAC Name2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccc(Br)c1
InChIInChI=1S/C13H8Br3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+
InChIKeyKAKDXCHSIBMPGM-REZTVBANSA-N
XLogP5.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
CID 162660236
2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
CID 1240034
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
CID 143730123
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol (CID 1286585) is 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cccc(Br)c1.
What is the InChIKey of 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol?
The InChIKey is KAKDXCHSIBMPGM-REZTVBANSA-N. The full InChI is InChI=1S/C13H8Br3NO/c14-9-2-1-3-11(5-9)17-7-8-4-10(15)6-12(16)13(8)18/h1-7,18H/b17-7+.
What are the key properties of 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol has a molecular weight of 433.93 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol is sourced from PubChem (CID 1286585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).