4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol

C13H11N3O4 — CID 3756287

IUPAC4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C13H11N3O4/c17-12-6-1-9(13(18)7-12)8-14-15-10-2-4-11(5-3-10)16(19)20/h1-8,15,17-18H
InChIKeyUYORVXFADKALHV-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.45
Rot. Bonds4

About 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol

4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 3756287) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID3756287
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C13H11N3O4/c17-12-6-1-9(13(18)7-12)8-14-15-10-2-4-11(5-3-10)16(19)20/h1-8,15,17-18H
InChIKeyUYORVXFADKALHV-UHFFFAOYSA-N
XLogP2.45
TPSA107.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 3756287) is 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol is O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is UYORVXFADKALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-6-1-9(13(18)7-12)8-14-15-10-2-4-11(5-3-10)16(19)20/h1-8,15,17-18H.
What are the key properties of 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 273.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 3756287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).