3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol

C10H7N3O7 — CID 123875570

IUPAC3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(-c2cc(O)n(O)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7N3O7/c14-9-4-7(10(15)11(9)16)6-2-1-5(12(17)18)3-8(6)13(19)20/h1-4,14-16H
InChIKeyNTJZYCXHWIPWKB-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.62
Rot. Bonds3

About 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol

3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol (PubChem CID 123875570) has the molecular formula C10H7N3O7 and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol.

Molecular Properties

Compound Name3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol
PubChem CID123875570
Molecular FormulaC10H7N3O7
Molecular Weight281.18 g/mol
Exact Mass281.03
IUPAC Name3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol
SMILESO=[N+]([O-])c1ccc(-c2cc(O)n(O)c2O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7N3O7/c14-9-4-7(10(15)11(9)16)6-2-1-5(12(17)18)3-8(6)13(19)20/h1-4,14-16H
InChIKeyNTJZYCXHWIPWKB-UHFFFAOYSA-N
XLogP1.62
TPSA151.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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

sodium;4-(2,4-dinitrophenyl)phenol;hydride
CID 174918783
1-hydroxy-6-nitroindol-2-ol
CID 91576861
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-(2,4-dinitrophenyl)benzenecarbothioic S-acid
CID 90765471
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
4-(2,4-dinitrophenyl)benzoic acid
CID 57346496
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
CID 175535252
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol?
The IUPAC name of 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol (CID 123875570) is 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol.
What is the SMILES notation for 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol?
The canonical SMILES for 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol is O=[N+]([O-])c1ccc(-c2cc(O)n(O)c2O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol?
The InChIKey is NTJZYCXHWIPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O7/c14-9-4-7(10(15)11(9)16)6-2-1-5(12(17)18)3-8(6)13(19)20/h1-4,14-16H.
What are the key properties of 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol?
3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol has a molecular weight of 281.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dinitrophenyl)-1-hydroxypyrrole-2,5-diol is sourced from PubChem (CID 123875570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).