2-[(2,4-dinitrophenyl)methylideneamino]phenol

C13H9N3O5 — CID 102417808

IUPAC2-[(2,4-dinitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9N3O5/c17-13-4-2-1-3-11(13)14-8-9-5-6-10(15(18)19)7-12(9)16(20)21/h1-8,17H/b14-8+
InChIKeyHQKVDBIMZIQWEF-RIYZIHGNSA-N
MW287.23 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2,4-dinitrophenyl)methylideneamino]phenol

2-[(2,4-dinitrophenyl)methylideneamino]phenol (PubChem CID 102417808) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[(2,4-dinitrophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name2-[(2,4-dinitrophenyl)methylideneamino]phenol
PubChem CID102417808
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name2-[(2,4-dinitrophenyl)methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(/C=N/c2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9N3O5/c17-13-4-2-1-3-11(13)14-8-9-5-6-10(15(18)19)7-12(9)16(20)21/h1-8,17H/b14-8+
InChIKeyHQKVDBIMZIQWEF-RIYZIHGNSA-N
XLogP2.96
TPSA118.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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'}

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Related Compounds

2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2-[[2-[2-[2-[2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]iminomethyl]-4-nitrophenol
CID 3429758
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dinitrophenyl)methylideneamino]phenol?
The IUPAC name of 2-[(2,4-dinitrophenyl)methylideneamino]phenol (CID 102417808) is 2-[(2,4-dinitrophenyl)methylideneamino]phenol.
What is the SMILES notation for 2-[(2,4-dinitrophenyl)methylideneamino]phenol?
The canonical SMILES for 2-[(2,4-dinitrophenyl)methylideneamino]phenol is O=[N+]([O-])c1ccc(/C=N/c2ccccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2,4-dinitrophenyl)methylideneamino]phenol?
The InChIKey is HQKVDBIMZIQWEF-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-13-4-2-1-3-11(13)14-8-9-5-6-10(15(18)19)7-12(9)16(20)21/h1-8,17H/b14-8+.
What are the key properties of 2-[(2,4-dinitrophenyl)methylideneamino]phenol?
2-[(2,4-dinitrophenyl)methylideneamino]phenol has a molecular weight of 287.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dinitrophenyl)methylideneamino]phenol is sourced from PubChem (CID 102417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).