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

C13H10ClN3O3 — CID 135439761

IUPAC2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-11-3-1-2-4-12(11)16-15-8-9-7-10(17(19)20)5-6-13(9)18/h1-8,16,18H/b15-8+
InChIKeyRWNPFSDTBKMRDL-OVCLIPMQSA-N
MW291.69 g/mol
LogP3.40
Rot. Bonds4

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

2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol (PubChem CID 135439761) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol
PubChem CID135439761
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2Cl)c1
InChIInChI=1S/C13H10ClN3O3/c14-11-3-1-2-4-12(11)16-15-8-9-7-10(17(19)20)5-6-13(9)18/h1-8,16,18H/b15-8+
InChIKeyRWNPFSDTBKMRDL-OVCLIPMQSA-N
XLogP3.40
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.40
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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Related Compounds

2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
methyl (2E)-2-{5-[(E)-(2-chlorophenyl)diazenyl]-2-hydroxybenzylidene}hydrazinecarboxylate
CID 135549654
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
2-{(E)-[2-(6-chloropyridazin-3-yl)hydrazinylidene]methyl}-4-nitrophenol
CID 135400342
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
Phenyl-thioacetic acid [1-(2-hydroxy-5-nitro-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029184
2-{[(4-Chlorophenyl)imino]methyl}-4-nitrophenol
CID 623877
4-chloro-2-[(E)-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-6-nitrophenol
CID 135717234
2-[(E)-{[2-chloro-5-(trifluoromethyl)phenyl]imino}methyl]-4-nitrophenol
CID 628164
2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
CID 86261386
4-nitro-2-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}phenol
CID 135403141

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The IUPAC name of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol (CID 135439761) is 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The canonical SMILES for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2Cl)c1.
What is the InChIKey of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol?
The InChIKey is RWNPFSDTBKMRDL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-11-3-1-2-4-12(11)16-15-8-9-7-10(17(19)20)5-6-13(9)18/h1-8,16,18H/b15-8+.
What are the key properties of 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol?
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol has a molecular weight of 291.69 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-4-nitrophenol is sourced from PubChem (CID 135439761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).