4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol

C13H10N4O5 — CID 135403145

IUPAC4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/b14-8+
InChIKeySCLSIWDYYARRJF-RIYZIHGNSA-N
MW302.25 g/mol
LogP2.65
Rot. Bonds5

About 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol

4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135403145) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135403145
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/b14-8+
InChIKeySCLSIWDYYARRJF-RIYZIHGNSA-N
XLogP2.65
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135403145) is 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is SCLSIWDYYARRJF-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-13-6-5-10(16(19)20)7-9(13)8-14-15-11-3-1-2-4-12(11)17(21)22/h1-8,15,18H/b14-8+.
What are the key properties of 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).