4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol

C13H8ClFN2O3 — CID 135595163

IUPAC4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2F)c1O
InChIInChI=1S/C13H8ClFN2O3/c14-9-5-8(13(18)12(6-9)17(19)20)7-16-11-4-2-1-3-10(11)15/h1-7,18H/b16-7+
InChIKeyKWONLXAJINCMPI-FRKPEAEDSA-N
MW294.67 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol

4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol (PubChem CID 135595163) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
PubChem CID135595163
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2F)c1O
InChIInChI=1S/C13H8ClFN2O3/c14-9-5-8(13(18)12(6-9)17(19)20)7-16-11-4-2-1-3-10(11)15/h1-7,18H/b16-7+
InChIKeyKWONLXAJINCMPI-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

4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-4-chloro-6-nitrophenol
CID 959908
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
CID 135757360
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-nitro-6-[[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)phenyl]iminomethyl]phenol
CID 5140037
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol (CID 135595163) is 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2F)c1O.
What is the InChIKey of 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol?
The InChIKey is KWONLXAJINCMPI-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-5-8(13(18)12(6-9)17(19)20)7-16-11-4-2-1-3-10(11)15/h1-7,18H/b16-7+.
What are the key properties of 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-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 4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 135595163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).