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

C13H7Cl3N2O3 — CID 4090365

IUPAC4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C13H7Cl3N2O3/c14-8-4-7(13(19)11(5-8)18(20)21)6-17-10-3-1-2-9(15)12(10)16/h1-6,19H/b17-6+
InChIKeyBIRQUZYFFOFZAP-UBKPWBPPSA-N
MW345.57 g/mol
LogP5.01
Rot. Bonds3

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

4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol (PubChem CID 4090365) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
PubChem CID4090365
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(Cl)c2Cl)c1O
InChIInChI=1S/C13H7Cl3N2O3/c14-8-4-7(13(19)11(5-8)18(20)21)6-17-10-3-1-2-9(15)12(10)16/h1-6,19H/b17-6+
InChIKeyBIRQUZYFFOFZAP-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-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
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-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
CID 135757360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol (CID 4090365) is 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cccc(Cl)c2Cl)c1O.
What is the InChIKey of 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol?
The InChIKey is BIRQUZYFFOFZAP-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-8-4-7(13(19)11(5-8)18(20)21)6-17-10-3-1-2-9(15)12(10)16/h1-6,19H/b17-6+.
What are the key properties of 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol?
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol 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 4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 4090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).