2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol

C13H10N2O4 — CID 620951

IUPAC2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C13H10N2O4/c16-12-3-1-2-10(7-12)14-8-9-6-11(15(18)19)4-5-13(9)17/h1-8,16-17H/b14-8+
InChIKeyUXUOJZYQLWPXPR-RIYZIHGNSA-N
MW258.23 g/mol
LogP2.76
Rot. Bonds3

About 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol

2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 620951) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID620951
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(O)c2)c1
InChIInChI=1S/C13H10N2O4/c16-12-3-1-2-10(7-12)14-8-9-6-11(15(18)19)4-5-13(9)17/h1-8,16-17H/b14-8+
InChIKeyUXUOJZYQLWPXPR-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_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol (CID 620951) is 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(O)c2)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is UXUOJZYQLWPXPR-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-12-3-1-2-10(7-12)14-8-9-6-11(15(18)19)4-5-13(9)17/h1-8,16-17H/b14-8+.
What are the key properties of 2-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol?
2-[(3-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-[(3-hydroxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 620951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).