6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C13H11F2N3O — CID 24771250

IUPAC6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESO=C1NC(CCF)c2[nH]c(-c3ccncc3F)cc21
InChIInChI=1S/C13H11F2N3O/c14-3-1-10-12-8(13(19)18-10)5-11(17-12)7-2-4-16-6-9(7)15/h2,4-6,10,17H,1,3H2,(H,18,19)
InChIKeyTZCPDBNTXHGOQZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.36
Rot. Bonds3

About 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 24771250) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID24771250
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
SMILESO=C1NC(CCF)c2[nH]c(-c3ccncc3F)cc21
InChIInChI=1S/C13H11F2N3O/c14-3-1-10-12-8(13(19)18-10)5-11(17-12)7-2-4-16-6-9(7)15/h2,4-6,10,17H,1,3H2,(H,18,19)
InChIKeyTZCPDBNTXHGOQZ-UHFFFAOYSA-N
XLogP2.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 24771250) is 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is O=C1NC(CCF)c2[nH]c(-c3ccncc3F)cc21.
What is the InChIKey of 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is TZCPDBNTXHGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-3-1-10-12-8(13(19)18-10)5-11(17-12)7-2-4-16-6-9(7)15/h2,4-6,10,17H,1,3H2,(H,18,19).
What are the key properties of 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?
6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 263.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-2-(3-fluoro-4-pyridinyl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 24771250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).