6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

C14H10N2O3 — CID 699158

IUPAC6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H10N2O3/c1-19-11-7-3-2-6-10(11)16-13(17)9-5-4-8-15-12(9)14(16)18/h2-8H,1H3
InChIKeyBFPCVRZOTAJLAB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.89
Rot. Bonds2

About 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 699158) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID699158
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCOc1ccccc1N1C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H10N2O3/c1-19-11-7-3-2-6-10(11)16-13(17)9-5-4-8-15-12(9)14(16)18/h2-8H,1H3
InChIKeyBFPCVRZOTAJLAB-UHFFFAOYSA-N
XLogP1.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 3576682
6-(2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 695615
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 79671598
6-methoxypyrrolo[3,4-b]pyridine-5,7-dione
CID 59172841
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60999080
6-(4-amino-2,5-dimethylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 103145268
6-(4-amino-2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 21433188
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 20866768
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2,6-dimethoxybenzamide
CID 113082133
4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 27718674
(4E)-4-(furan-2-ylmethylidene)-2-(2-methoxyphenyl)isoquinoline-1,3-dione
CID 75365119

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 699158) is 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is COc1ccccc1N1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is BFPCVRZOTAJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-11-7-3-2-6-10(11)16-13(17)9-5-4-8-15-12(9)14(16)18/h2-8H,1H3.
What are the key properties of 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 254.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 699158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).