3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol

C13H11N3O4 — CID 135801832

IUPAC3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol
SMILESN/N=C(/c1ccccc1[N+](=O)[O-])c1cccc(O)c1O
InChIInChI=1S/C13H11N3O4/c14-15-12(9-5-3-7-11(17)13(9)18)8-4-1-2-6-10(8)16(19)20/h1-7,17-18H,14H2/b15-12-
InChIKeyOUQAFINHKDSTOZ-QINSGFPZSA-N
MW273.25 g/mol
LogP1.72
Rot. Bonds3

About 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol

3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol (PubChem CID 135801832) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol
PubChem CID135801832
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol
SMILESN/N=C(/c1ccccc1[N+](=O)[O-])c1cccc(O)c1O
InChIInChI=1S/C13H11N3O4/c14-15-12(9-5-3-7-11(17)13(9)18)8-4-1-2-6-10(8)16(19)20/h1-7,17-18H,14H2/b15-12-
InChIKeyOUQAFINHKDSTOZ-QINSGFPZSA-N
XLogP1.72
TPSA121.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[C-(6-chloropyridazin-3-yl)carbonohydrazonoyl]-6-nitrophenol
CID 154279075
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
benzene;2-nitrobenzoic acid
CID 19891435
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
formamide;2-nitrophenol
CID 20538790
5-nitronaphthalene-1,2-diol
CID 139880098
(2-nitrophenyl)-oxomethanesulfonic acid
CID 150696280
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol?
The IUPAC name of 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol (CID 135801832) is 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol?
The canonical SMILES for 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol is N/N=C(/c1ccccc1[N+](=O)[O-])c1cccc(O)c1O.
What is the InChIKey of 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol?
The InChIKey is OUQAFINHKDSTOZ-QINSGFPZSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-15-12(9-5-3-7-11(17)13(9)18)8-4-1-2-6-10(8)16(19)20/h1-7,17-18H,14H2/b15-12-.
What are the key properties of 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol?
3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol has a molecular weight of 273.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-C-(2-nitrophenyl)carbonohydrazonoyl]benzene-1,2-diol is sourced from PubChem (CID 135801832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).