4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol

C13H7BrCl2INO — CID 137173116

IUPAC4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2INO/c14-8-3-7(13(19)11(17)4-8)6-18-12-2-1-9(15)5-10(12)16/h1-6,19H/b18-6+
InChIKeyMAXPUEYPSXVPPA-NGYBGAFCSA-N
MW470.92 g/mol
LogP5.82
Rot. Bonds2

About 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol

4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol (PubChem CID 137173116) has the molecular formula C13H7BrCl2INO and a molecular weight of 470.92 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol.

Molecular Properties

Compound Name4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
PubChem CID137173116
Molecular FormulaC13H7BrCl2INO
Molecular Weight470.92 g/mol
Exact Mass468.81
IUPAC Name4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
SMILESOc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2INO/c14-8-3-7(13(19)11(17)4-8)6-18-12-2-1-9(15)5-10(12)16/h1-6,19H/b18-6+
InChIKeyMAXPUEYPSXVPPA-NGYBGAFCSA-N
XLogP5.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.92
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
4-bromo-2-[[4-(3-chlorophenoxy)phenyl]iminomethyl]-6-iodophenol
CID 137085630
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 136909116
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
CID 171980806
1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 137138183
1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
ethyl 4-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]benzoate
CID 1237452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol?
The IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol (CID 137173116) is 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol.
What is the SMILES notation for 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol?
The canonical SMILES for 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol is Oc1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol?
The InChIKey is MAXPUEYPSXVPPA-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H7BrCl2INO/c14-8-3-7(13(19)11(17)4-8)6-18-12-2-1-9(15)5-10(12)16/h1-6,19H/b18-6+.
What are the key properties of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol?
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol has a molecular weight of 470.92 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol is sourced from PubChem (CID 137173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).