3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol

C13H10N4O6 — CID 135403151

IUPAC3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O6/c18-12-3-1-2-8(13(12)19)7-14-15-10-5-4-9(16(20)21)6-11(10)17(22)23/h1-7,15,18-19H/b14-7+
InChIKeyKIBCCSCEEFZYJB-VGOFMYFVSA-N
MW318.25 g/mol
LogP2.36
Rot. Bonds5

About 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol

3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135403151) has the molecular formula C13H10N4O6 and a molecular weight of 318.25 g/mol. Its IUPAC name is 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135403151
Molecular FormulaC13H10N4O6
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O6/c18-12-3-1-2-8(13(12)19)7-14-15-10-5-4-9(16(20)21)6-11(10)17(22)23/h1-7,15,18-19H/b14-7+
InChIKeyKIBCCSCEEFZYJB-VGOFMYFVSA-N
XLogP2.36
TPSA151.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

Sivifene
CID 3089902
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
4-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]propyl}phenol
CID 135642212
3-{(E)-[2-(2-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403185
3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135519988
3,4-Dihydroxybenzaldehyde {2-nitrophenyl}hydrazone
CID 135458685

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135403151) is 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is KIBCCSCEEFZYJB-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H10N4O6/c18-12-3-1-2-8(13(12)19)7-14-15-10-5-4-9(16(20)21)6-11(10)17(22)23/h1-7,15,18-19H/b14-7+.
What are the key properties of 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 318.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135403151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).