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

C13H11N3O4 — CID 135458685

IUPAC4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C13H11N3O4/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyASGYWSQGGWMKNE-RIYZIHGNSA-N
MW273.25 g/mol
LogP2.45
Rot. Bonds4

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

4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135458685) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135458685
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccccc1N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C13H11N3O4/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16(19)20/h1-8,15,17-18H/b14-8+
InChIKeyASGYWSQGGWMKNE-RIYZIHGNSA-N
XLogP2.45
TPSA107.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

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-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
1-(2-nitrophenyl)-3-[[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea
CID 135433256
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135520006
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
2-methoxy-5-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 9625365
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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135458685) is 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is O=[N+]([O-])c1ccccc1N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is ASGYWSQGGWMKNE-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-6-5-9(7-13(12)18)8-14-15-10-3-1-2-4-11(10)16(19)20/h1-8,15,17-18H/b14-8+.
What are the key properties of 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 273.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135458685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).