CAS 4664-01-1|1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione|3,4-Pyridinedicarboximide|2H-pyrrolo[3,4-c]pyridine-1,3-dione|2,3-Dihydro-1,3-dioxo-1H-pyrrolo[3,4-c]pyridine|1H-Pyrrolo[3,4-c]pyridine-1,3(2H...

General Information

Structure

Molecular Formula

C₇H₄N₂O₂

Molecular Mass

148.11886

Exact Mass

148.02727738

Charge

InChI

InChI=1S/C7H4N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h1-3H,(H,9,10,11)

InChIKey

SJSABZBUTDSWMJ-UHFFFAOYSA-N

Canonic Smiles

O=C1NC(=O)c2c1cncc2

Isomeric Smiles

c1cncc2c1C(=O)NC2=O

Calculated Properties

JChem

Acid pKa

7.9109817

H Acceptors

H Donor

LogD (pH = 5.5)

-0.526072

LogD (pH = 7.4)

-0.6394931

Log P

-0.5242494

Molar Refractivity

37.1579

Polarizability

13.3265085

Polar Surface Area

59.06

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione

Synonyms

3,4-Pyridinedicarboximide2,3-Dihydro-1,3-dioxo-1H-pyrrolo[3,4-c]pyridine1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dioneCinchomeronimidePyridine-3,4-dicarboximide 99%3,4-Pyridinedicarboximide1H,2H,3H-pyrrolo[3,4-c]pyridine-1,3-dione吡啶-3,4-二甲酰亚胺Pyridine-3,4-dicarboximide

IUPAC Traditional name

2H-pyrrolo[3,4-c]pyridine-1,3-dione

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID