2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol

C13H8ClFN2O3 — CID 135595304

IUPAC2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-9-1-3-12(11(15)6-9)16-7-8-5-10(17(19)20)2-4-13(8)18/h1-7,18H/b16-7+
InChIKeyHOHWVVXYMLLQKO-FRKPEAEDSA-N
MW294.67 g/mol
LogP3.84
Rot. Bonds3

About 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol

2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol (PubChem CID 135595304) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
PubChem CID135595304
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-9-1-3-12(11(15)6-9)16-7-8-5-10(17(19)20)2-4-13(8)18/h1-7,18H/b16-7+
InChIKeyHOHWVVXYMLLQKO-FRKPEAEDSA-N
XLogP3.84
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
CID 136620756
CID 136620756
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
4-tert-butyl-2-chloro-6-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenolate
CID 135682525
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-methyl-4-nitrophenolate
CID 135816541
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
CID 633064

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol (CID 135595304) is 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is HOHWVVXYMLLQKO-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-1-3-12(11(15)6-9)16-7-8-5-10(17(19)20)2-4-13(8)18/h1-7,18H/b16-7+.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol?
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol has a molecular weight of 294.67 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 135595304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).