4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol

C13H10FN3O3 — CID 135730447

IUPAC4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C13H10FN3O3/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-13(18)12(7-9)17(19)20/h1-8,16,18H/b15-8+
InChIKeyVXASZXSIFMWNLZ-OVCLIPMQSA-N
MW275.24 g/mol
LogP2.89
Rot. Bonds4

About 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol

4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol (PubChem CID 135730447) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol
PubChem CID135730447
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C13H10FN3O3/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-13(18)12(7-9)17(19)20/h1-8,16,18H/b15-8+
InChIKeyVXASZXSIFMWNLZ-OVCLIPMQSA-N
XLogP2.89
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
2-(((3-Nitrophenyl)methylene)amino)phenol
CID 94755
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Hydroxy-3-nitrobenzaldehyde (6-methyl-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)hydrazone
CID 135412208
(2E)-2-(2-hydroxy-3-nitrobenzylidene)hydrazinecarboximidamide
CID 135433254
(1E)-1-(4-hydroxyphenyl)ethanone (4-nitrophenyl)hydrazone
CID 135440580
4-Hydroxybenzaldehyde, 4-nitrophenylhydrazone
CID 135620071
Phenol, 2-(4-fluorophenyliminomethyl)-6-nitro-
CID 554585
2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
CID 86261386
4-nitro-2-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}phenol
CID 135403141
(Z)-4-chloro-5-(2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl)pyridazin-3(2H)-one
CID 135412280

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol (CID 135730447) is 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol is O=[N+]([O-])c1cc(/C=N/Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol?
The InChIKey is VXASZXSIFMWNLZ-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-10-2-4-11(5-3-10)16-15-8-9-1-6-13(18)12(7-9)17(19)20/h1-8,16,18H/b15-8+.
What are the key properties of 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol?
4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol has a molecular weight of 275.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-2-nitrophenol is sourced from PubChem (CID 135730447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).