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

C7H4F2N2O — CID 76847803

IUPAC4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(F)c2F)N1
InChIInChI=1S/C7H4F2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyKPQLVUWWNABETR-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.85
Rot. Bonds

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

4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 76847803) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID76847803
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(ncc(F)c2F)N1
InChIInChI=1S/C7H4F2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12)
InChIKeyKPQLVUWWNABETR-UHFFFAOYSA-N
XLogP0.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 76847803) is 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(ncc(F)c2F)N1.
What is the InChIKey of 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is KPQLVUWWNABETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-4-2-10-7-3(6(4)9)1-5(12)11-7/h2H,1H2,(H,10,11,12).
What are the key properties of 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 170.12 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76847803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).