2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol

C13H7Cl3N2O3 — CID 631330

IUPAC2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(15)12(5-9)18(20)21/h1-6,19H/b17-6+
InChIKeyMJLPCFQIJFRZDF-UBKPWBPPSA-N
MW345.57 g/mol
LogP5.01
Rot. Bonds3

About 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol

2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol (PubChem CID 631330) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
PubChem CID631330
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(15)12(5-9)18(20)21/h1-6,19H/b17-6+
InChIKeyMJLPCFQIJFRZDF-UBKPWBPPSA-N
XLogP5.01
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 55.01
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
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 1409765

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol (CID 631330) is 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1Cl.
What is the InChIKey of 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol?
The InChIKey is MJLPCFQIJFRZDF-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-3-7(13(19)11(16)4-8)6-17-9-1-2-10(15)12(5-9)18(20)21/h1-6,19H/b17-6+.
What are the key properties of 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol?
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol has a molecular weight of 345.57 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 631330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).