6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione

C8H6N2O3 — CID 2133484

IUPAC6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CO
InChIInChI=1S/C8H6N2O3/c11-4-10-7(12)5-2-1-3-9-6(5)8(10)13/h1-3,11H,4H2
InChIKeyZIUASEMXCWTSIZ-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.37
Rot. Bonds1

About 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 2133484) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID2133484
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1CO
InChIInChI=1S/C8H6N2O3/c11-4-10-7(12)5-2-1-3-9-6(5)8(10)13/h1-3,11H,4H2
InChIKeyZIUASEMXCWTSIZ-UHFFFAOYSA-N
XLogP-0.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62498637
6-(4-hydroxy-2-methylbutyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 66106725
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
CID 106220357
6-[[4-(aminomethyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60998117
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196
6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64531733
phenyl N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]carbamate
CID 121022932
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylpentanoic acid
CID 104683031
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-fluorophenyl)acetamide
CID 113201904

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 2133484) is 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1CO.
What is the InChIKey of 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ZIUASEMXCWTSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-4-10-7(12)5-2-1-3-9-6(5)8(10)13/h1-3,11H,4H2.
What are the key properties of 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 178.15 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 2133484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).