2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol

C13H9FN2O2 — CID 142621660

IUPAC2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol
SMILESO=Nc1ccc(O)c(/C=N/c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FN2O2/c14-10-1-3-11(4-2-10)15-8-9-7-12(16-18)5-6-13(9)17/h1-8,17H/b15-8+
InChIKeyJJXQCZYGRYOYRT-OVCLIPMQSA-N
MW244.23 g/mol
LogP3.68
Rot. Bonds3

About 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol

2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol (PubChem CID 142621660) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol
PubChem CID142621660
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol
SMILESO=Nc1ccc(O)c(/C=N/c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FN2O2/c14-10-1-3-11(4-2-10)15-8-9-7-12(16-18)5-6-13(9)17/h1-8,17H/b15-8+
InChIKeyJJXQCZYGRYOYRT-OVCLIPMQSA-N
XLogP3.68
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107
4-[(4-fluorophenyl)diazenyl]-2-[[2-[[2-[[2-[[5-[(4-fluorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]iminomethyl]phenol
CID 136870008
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol?
The IUPAC name of 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol (CID 142621660) is 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol.
What is the SMILES notation for 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol?
The canonical SMILES for 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol is O=Nc1ccc(O)c(/C=N/c2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol?
The InChIKey is JJXQCZYGRYOYRT-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-10-1-3-11(4-2-10)15-8-9-7-12(16-18)5-6-13(9)17/h1-8,17H/b15-8+.
What are the key properties of 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol?
2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol has a molecular weight of 244.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol is sourced from PubChem (CID 142621660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).