4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol

C13H8ClFN2O3 — CID 135595254

IUPAC4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cc(/N=C/c2cc(Cl)ccc2O)ccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-9-1-4-13(18)8(5-9)7-16-10-2-3-11(15)12(6-10)17(19)20/h1-7,18H/b16-7+
InChIKeyNWSOEWKYPRIWGD-FRKPEAEDSA-N
MW294.67 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol

4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol (PubChem CID 135595254) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
PubChem CID135595254
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cc(/N=C/c2cc(Cl)ccc2O)ccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-9-1-4-13(18)8(5-9)7-16-10-2-3-11(15)12(6-10)17(19)20/h1-7,18H/b16-7+
InChIKeyNWSOEWKYPRIWGD-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-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine
CID 2359779
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136732744
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol (CID 135595254) is 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1cc(/N=C/c2cc(Cl)ccc2O)ccc1F.
What is the InChIKey of 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol?
The InChIKey is NWSOEWKYPRIWGD-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-1-4-13(18)8(5-9)7-16-10-2-3-11(15)12(6-10)17(19)20/h1-7,18H/b16-7+.
What are the key properties of 4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol?
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol 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-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 135595254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).