2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione

C15H8ClN3O5 — CID 135757360

IUPAC2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H8ClN3O5/c16-9-5-8(13(20)12(6-9)19(23)24)7-17-18-14(21)10-3-1-2-4-11(10)15(18)22/h1-7,20H/b17-7-
InChIKeyFSWWIDUTCIMLHG-IDUWFGFVSA-N
MW345.70 g/mol
LogP2.58
Rot. Bonds3

About 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135757360) has the molecular formula C15H8ClN3O5 and a molecular weight of 345.70 g/mol. Its IUPAC name is 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135757360
Molecular FormulaC15H8ClN3O5
Molecular Weight345.70 g/mol
Exact Mass345.02
IUPAC Name2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H8ClN3O5/c16-9-5-8(13(20)12(6-9)19(23)24)7-17-18-14(21)10-3-1-2-4-11(10)15(18)22/h1-7,20H/b17-7-
InChIKeyFSWWIDUTCIMLHG-IDUWFGFVSA-N
XLogP2.58
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
(5R)-3-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 135788096
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
2-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]isoindole-1,3-dione
CID 759274
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
CID 5392488
(3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 6363126
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione (CID 135757360) is 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is FSWWIDUTCIMLHG-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H8ClN3O5/c16-9-5-8(13(20)12(6-9)19(23)24)7-17-18-14(21)10-3-1-2-4-11(10)15(18)22/h1-7,20H/b17-7-.
What are the key properties of 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 345.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135757360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).