4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol

C13H7Cl2FN2O3 — CID 135595288

IUPAC4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-3-7(13(19)12(4-8)18(20)21)6-17-9-1-2-11(16)10(15)5-9/h1-6,19H/b17-6+
InChIKeyDVCBZMIAYAKXFX-UBKPWBPPSA-N
MW329.11 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol

4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol (PubChem CID 135595288) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
PubChem CID135595288
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-3-7(13(19)12(4-8)18(20)21)6-17-9-1-2-11(16)10(15)5-9/h1-6,19H/b17-6+
InChIKeyDVCBZMIAYAKXFX-UBKPWBPPSA-N
XLogP4.50
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 54.50
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-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
dimethyl 5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595460
3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N,N-diethylbenzamide
CID 135758045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol (CID 135595288) is 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)c1O.
What is the InChIKey of 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol?
The InChIKey is DVCBZMIAYAKXFX-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-8-3-7(13(19)12(4-8)18(20)21)6-17-9-1-2-11(16)10(15)5-9/h1-6,19H/b17-6+.
What are the key properties of 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol has a molecular weight of 329.11 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 135595288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).