4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C8H7FN2O2 — CID 76847816

IUPAC4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1cnc2c(c1F)CC(=O)N2
InChIInChI=1S/C8H7FN2O2/c1-13-5-3-10-8-4(7(5)9)2-6(12)11-8/h3H,2H2,1H3,(H,10,11,12)
InChIKeyOPJFDBAXMCWREU-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.72
Rot. Bonds1

About 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 76847816) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID76847816
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESCOc1cnc2c(c1F)CC(=O)N2
InChIInChI=1S/C8H7FN2O2/c1-13-5-3-10-8-4(7(5)9)2-6(12)11-8/h3H,2H2,1H3,(H,10,11,12)
InChIKeyOPJFDBAXMCWREU-UHFFFAOYSA-N
XLogP0.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 76847816) is 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is COc1cnc2c(c1F)CC(=O)N2.
What is the InChIKey of 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OPJFDBAXMCWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-13-5-3-10-8-4(7(5)9)2-6(12)11-8/h3H,2H2,1H3,(H,10,11,12).
What are the key properties of 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 182.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).