2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol

C13H10N2O4 — CID 3252917

IUPAC2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2O)c1
InChIInChI=1S/C13H10N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-8,16-17H/b14-8+
InChIKeyIVLAJZAWUQXYSU-RIYZIHGNSA-N
MW258.23 g/mol
LogP2.76
Rot. Bonds3

About 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol

2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 3252917) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID3252917
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2O)c1
InChIInChI=1S/C13H10N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-8,16-17H/b14-8+
InChIKeyIVLAJZAWUQXYSU-RIYZIHGNSA-N
XLogP2.76
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-salicylidene-o-aminophenol
CID 74479
3,5-Dinitro(1,1'-biphenyl)-2-ol
CID 12900
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
2-(Naphthalen-1-yliminomethyl)-4-nitro-phenol
CID 690984
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
4-[(2-Hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one
CID 345771
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
8-Nitrobenzo[b][1,4]benzoxazepine
CID 5159242
2-(Benzylideneamino)phenol
CID 219809

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol (CID 3252917) is 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccccc2O)c1.
What is the InChIKey of 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is IVLAJZAWUQXYSU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-8,16-17H/b14-8+.
What are the key properties of 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 258.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 3252917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).