2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol

C13H9ClN4O5 — CID 135759833

IUPAC2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H9ClN4O5/c14-11-3-1-9(6-12(11)18(22)23)16-15-7-8-5-10(17(20)21)2-4-13(8)19/h1-7,16,19H/b15-7-
InChIKeyXRJAYLPCEVJENL-CHHVJCJISA-N
MW336.69 g/mol
LogP3.31
Rot. Bonds5

About 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol

2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 135759833) has the molecular formula C13H9ClN4O5 and a molecular weight of 336.69 g/mol. Its IUPAC name is 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID135759833
Molecular FormulaC13H9ClN4O5
Molecular Weight336.69 g/mol
Exact Mass336.03
IUPAC Name2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H9ClN4O5/c14-11-3-1-9(6-12(11)18(22)23)16-15-7-8-5-10(17(20)21)2-4-13(8)19/h1-7,16,19H/b15-7-
InChIKeyXRJAYLPCEVJENL-CHHVJCJISA-N
XLogP3.31
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.69
LogP ≤ 53.31
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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Related Compounds

4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122
2-[[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-4-nitrophenol
CID 3448600
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol (CID 135759833) is 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is XRJAYLPCEVJENL-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9ClN4O5/c14-11-3-1-9(6-12(11)18(22)23)16-15-7-8-5-10(17(20)21)2-4-13(8)19/h1-7,16,19H/b15-7-.
What are the key properties of 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol?
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 336.69 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 135759833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).