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

C13H7FN2O3 — CID 64782032

IUPAC6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc(O)c(F)c1
InChIInChI=1S/C13H7FN2O3/c14-9-6-7(3-4-10(9)17)16-12(18)8-2-1-5-15-11(8)13(16)19/h1-6,17H
InChIKeyXDDHMYSLLNQPQV-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.73
Rot. Bonds1

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

6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 64782032) has the molecular formula C13H7FN2O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID64782032
Molecular FormulaC13H7FN2O3
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccc(O)c(F)c1
InChIInChI=1S/C13H7FN2O3/c14-9-6-7(3-4-10(9)17)16-12(18)8-2-1-5-15-11(8)13(16)19/h1-6,17H
InChIKeyXDDHMYSLLNQPQV-UHFFFAOYSA-N
XLogP1.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.73
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

5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-fluorobenzoic acid
CID 60998976
6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62316965
6-[4-[[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]methyl]phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 1306086
6-(3-iodo-4-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 114257347
5-bromo-2-(3-fluoro-4-hydroxyphenyl)isoindole-1,3-dione
CID 64782042
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 113083009
2-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324078
6-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 63902170
6-(3-bromo-5-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 107583998
4-(3-fluoro-4-hydroxyphenyl)morpholine-3,5-dione
CID 64781864
methyl 2-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenoxy]acetate
CID 9324085

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 64782032) is 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccc(O)c(F)c1.
What is the InChIKey of 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is XDDHMYSLLNQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3/c14-9-6-7(3-4-10(9)17)16-12(18)8-2-1-5-15-11(8)13(16)19/h1-6,17H.
What are the key properties of 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 258.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-hydroxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 64782032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).