6-methylpyrrolo[3,4-b]pyridine-5,7-dione

C8H6N2O2 — CID 5325721

IUPAC6-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3
InChIKeyLKYINPYNYHIZKR-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.31
Rot. Bonds

About 6-methylpyrrolo[3,4-b]pyridine-5,7-dione

6-methylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 5325721) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-methylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-methylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID5325721
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-methylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3
InChIKeyLKYINPYNYHIZKR-UHFFFAOYSA-N
XLogP0.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Kdoam-25
CID 91810435
Pyrocoll
CID 10241527
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829
3,4-Pyridinedicarboximide
CID 72926
Kdoam-29
CID 126961673
2,3-Dihydroindol-1-yl(pyridin-3-yl)methanone
CID 669080
6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione
CID 695123
4-propionyl-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 4681816

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione (CID 5325721) is 6-methylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione is CN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LKYINPYNYHIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-10-7(11)5-3-2-4-9-6(5)8(10)12/h2-4H,1H3.
What are the key properties of 6-methylpyrrolo[3,4-b]pyridine-5,7-dione?
6-methylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 162.15 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 5325721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).