4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C13H10N4O5 — CID 135403141

IUPAC4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-12(17(21)22)7-9(13)8-14-15-10-1-3-11(4-2-10)16(19)20/h1-8,15,18H/b14-8+
InChIKeyRBLSIINLCLPCFS-RIYZIHGNSA-N
MW302.25 g/mol
LogP2.65
Rot. Bonds5

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

4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135403141) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135403141
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C13H10N4O5/c18-13-6-5-12(17(21)22)7-9(13)8-14-15-10-1-3-11(4-2-10)16(19)20/h1-8,15,18H/b14-8+
InChIKeyRBLSIINLCLPCFS-RIYZIHGNSA-N
XLogP2.65
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.65
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

Salicylaldehyde phenylhydrazone
CID 135401296
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
Hydrazinecarbothioamide, 2-[(2-hydroxy-5-nitrophenyl)methylene]-
CID 3111530
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
2-Hydroxy-5-nitrobenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazone
CID 135439773

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135403141) is 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is RBLSIINLCLPCFS-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-13-6-5-12(17(21)22)7-9(13)8-14-15-10-1-3-11(4-2-10)16(19)20/h1-8,15,18H/b14-8+.
What are the key properties of 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 302.25 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135403141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).