4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol

C13H9BrFNO — CID 707393

IUPAC4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO/c14-10-1-6-13(17)9(7-10)8-16-12-4-2-11(15)3-5-12/h1-8,17H/b16-8+
InChIKeyGSSURLNEDJAYKV-LZYBPNLTSA-N
MW294.12 g/mol
LogP4.04
Rot. Bonds2

About 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol

4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol (PubChem CID 707393) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
PubChem CID707393
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C13H9BrFNO/c14-10-1-6-13(17)9(7-10)8-16-12-4-2-11(15)3-5-12/h1-8,17H/b16-8+
InChIKeyGSSURLNEDJAYKV-LZYBPNLTSA-N
XLogP4.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 54.04
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-fluorophenyl)iminomethyl]-4-nitrosophenol
CID 142621660
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetonitrile
CID 2796509
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370
4-bromo-2-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657402
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391
1-(3-bromophenyl)-N-(4-fluorophenyl)methanimine
CID 139243964
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol (CID 707393) is 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1.
What is the InChIKey of 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol?
The InChIKey is GSSURLNEDJAYKV-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-10-1-6-13(17)9(7-10)8-16-12-4-2-11(15)3-5-12/h1-8,17H/b16-8+.
What are the key properties of 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol?
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol has a molecular weight of 294.12 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol is sourced from PubChem (CID 707393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).