4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol

C13H11N3O3 — CID 86261386

IUPAC4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2)c1
InChIInChI=1S/C13H11N3O3/c17-13-7-6-12(16(18)19)8-10(13)9-14-15-11-4-2-1-3-5-11/h1-9,15,17H/b14-9+
InChIKeyONIXGLAWYZPDPB-NTEUORMPSA-N
MW257.25 g/mol
LogP2.75
Rot. Bonds4

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

4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 86261386) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID86261386
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2)c1
InChIInChI=1S/C13H11N3O3/c17-13-7-6-12(16(18)19)8-10(13)9-14-15-11-4-2-1-3-5-11/h1-9,15,17H/b14-9+
InChIKeyONIXGLAWYZPDPB-NTEUORMPSA-N
XLogP2.75
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 86261386) is 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2)c1.
What is the InChIKey of 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is ONIXGLAWYZPDPB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13-7-6-12(16(18)19)8-10(13)9-14-15-11-4-2-1-3-5-11/h1-9,15,17H/b14-9+.
What are the key properties of 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol?
4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol has a molecular weight of 257.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 86261386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).