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

C7H5FN2O — CID 57416920

IUPAC4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(F)ccnc2N1
InChIInChI=1S/C7H5FN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChIKeyCNWDXMBVANPUCX-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.72
Rot. Bonds

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

4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 57416920) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID57416920
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(F)ccnc2N1
InChIInChI=1S/C7H5FN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChIKeyCNWDXMBVANPUCX-UHFFFAOYSA-N
XLogP0.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 57416920) is 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(F)ccnc2N1.
What is the InChIKey of 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is CNWDXMBVANPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11).
What are the key properties of 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 152.13 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 57416920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).