1-(3-nitrophenyl)pyrrole-2,5-diol

C10H8N2O4 — CID 91167984

IUPAC1-(3-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C10H8N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6,13-14H
InChIKeyHYDBTZRVKGEGGH-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.80
Rot. Bonds2

About 1-(3-nitrophenyl)pyrrole-2,5-diol

1-(3-nitrophenyl)pyrrole-2,5-diol (PubChem CID 91167984) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 1-(3-nitrophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-nitrophenyl)pyrrole-2,5-diol
PubChem CID91167984
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name1-(3-nitrophenyl)pyrrole-2,5-diol
SMILESO=[N+]([O-])c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C10H8N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6,13-14H
InChIKeyHYDBTZRVKGEGGH-UHFFFAOYSA-N
XLogP1.80
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Nitrophenyl)pyrrole-2,5-diol
CID 90748721
1-(4-Fluorophenyl)-3-iodopyrrole-2,5-diol
CID 53720769
3-(Bromomethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol
CID 53830805
1-(2-Fluoro-5-nitrophenyl)-3-(methylsulfonylmethyl)pyrrole-2,5-diol
CID 53917824
3-(Chloromethyl)-1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-diol
CID 53963350
1-(2-Fluoro-5-nitrophenyl)-3-(iodomethyl)pyrrole-2,5-diol
CID 53991480
[1-(2-Fluoro-5-nitrophenyl)-2,5-dihydroxypyrrol-3-yl]methyl thiocyanate
CID 54132617
2-[1-(2-Fluoro-5-nitrophenyl)-2,5-dihydroxypyrrol-3-yl]acetonitrile
CID 54282455
3-(Fluoromethyl)-1-(2-fluoro-5-nitrophenyl)pyrrole-2,5-diol
CID 54538777
1-(4-Amino-2-fluorophenyl)pyrrole-2,5-diol
CID 90950667
1-(2-Fluoro-4-nitrophenyl)pyrrole-2,5-diol
CID 91170049
1-[4-Nitro-3-(trifluoromethyl)phenyl]pyrrole-2,5-diol
CID 91282788

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(3-nitrophenyl)pyrrole-2,5-diol (CID 91167984) is 1-(3-nitrophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(3-nitrophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(3-nitrophenyl)pyrrole-2,5-diol is O=[N+]([O-])c1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of 1-(3-nitrophenyl)pyrrole-2,5-diol?
The InChIKey is HYDBTZRVKGEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-9-4-5-10(14)11(9)7-2-1-3-8(6-7)12(15)16/h1-6,13-14H.
What are the key properties of 1-(3-nitrophenyl)pyrrole-2,5-diol?
1-(3-nitrophenyl)pyrrole-2,5-diol has a molecular weight of 220.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91167984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).