2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol

C13H10N4O5 — CID 137100866

IUPAC2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-9(8-14-15-10-4-2-1-3-5-10)6-11(16(19)20)7-12(13)17(21)22/h1-8,15,18H/b14-8+
InChIKeyNGEGKWNWKHLQAR-RIYZIHGNSA-N
MW302.25 g/mol
LogP2.65
Rot. Bonds5

About 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol

2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 137100866) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
PubChem CID137100866
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC Name2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
SMILESO=[N+]([O-])c1cc(/C=N/Nc2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c18-13-9(8-14-15-10-4-2-1-3-5-10)6-11(16(19)20)7-12(13)17(21)22/h1-8,15,18H/b14-8+
InChIKeyNGEGKWNWKHLQAR-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

2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
(2E)-2-(2-hydroxy-3-nitrobenzylidene)hydrazinecarboximidamide
CID 135433254
2-hydroxy-N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135479551
2-[(E)-C-methyl-N-(3-nitroanilino)carbonimidoyl]phenol
CID 135519867
Phenyl-thioacetic acid [1-(2-hydroxy-5-nitro-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029184
3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135519988
4-Nitro-2-{[(e)-phenylmethylidene]amino}phenol
CID 270036
4-Nitro-2-{(E)-[(3-nitrophenyl)methylidene]amino}phenol
CID 310081
2-Hydroxy-5-nitrobenzaldehyde phenylhydrazone
CID 86261386

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol (CID 137100866) is 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol is O=[N+]([O-])c1cc(/C=N/Nc2ccccc2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is NGEGKWNWKHLQAR-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N4O5/c18-13-9(8-14-15-10-4-2-1-3-5-10)6-11(16(19)20)7-12(13)17(21)22/h1-8,15,18H/b14-8+.
What are the key properties of 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol?
2,4-dinitro-6-[(E)-(phenylhydrazinylidene)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 2,4-dinitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 137100866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).