4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol

C13H9BrINO2 — CID 137173243

IUPAC4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
SMILESOc1ccccc1/N=C/c1cc(Br)cc(I)c1O
InChIInChI=1S/C13H9BrINO2/c14-9-5-8(13(18)10(15)6-9)7-16-11-3-1-2-4-12(11)17/h1-7,17-18H/b16-7+
InChIKeyWTWFKHSKPYSGEZ-FRKPEAEDSA-N
MW418.03 g/mol
LogP4.22
Rot. Bonds2

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

4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol (PubChem CID 137173243) has the molecular formula C13H9BrINO2 and a molecular weight of 418.03 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
PubChem CID137173243
Molecular FormulaC13H9BrINO2
Molecular Weight418.03 g/mol
Exact Mass416.89
IUPAC Name4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
SMILESOc1ccccc1/N=C/c1cc(Br)cc(I)c1O
InChIInChI=1S/C13H9BrINO2/c14-9-5-8(13(18)10(15)6-9)7-16-11-3-1-2-4-12(11)17/h1-7,17-18H/b16-7+
InChIKeyWTWFKHSKPYSGEZ-FRKPEAEDSA-N
XLogP4.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.03
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
CID 137173116
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol
CID 143730258
2-[(2-hydroxy-5-phenylphenyl)iminomethyl]-4,6-diiodophenol
CID 3915695
2-[(2-fluorophenyl)iminomethyl]-6-iodo-4-methylphenol
CID 135988559
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
CID 135533846
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687
2-[[4-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-bromo-6-iodophenol
CID 4160416

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol?
The IUPAC name of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol (CID 137173243) is 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol is Oc1ccccc1/N=C/c1cc(Br)cc(I)c1O.
What is the InChIKey of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol?
The InChIKey is WTWFKHSKPYSGEZ-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9BrINO2/c14-9-5-8(13(18)10(15)6-9)7-16-11-3-1-2-4-12(11)17/h1-7,17-18H/b16-7+.
What are the key properties of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol?
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol has a molecular weight of 418.03 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol is sourced from PubChem (CID 137173243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).