pyrrolo[2,3-b]pyridin-5-one

C7H4N2O — CID 136504744

IUPACpyrrolo[2,3-b]pyridin-5-one
SMILESO=C1C=NC2=NC=CC2=C1
InChIInChI=1S/C7H4N2O/c10-6-3-5-1-2-8-7(5)9-4-6/h1-4H
InChIKeyCEPPTOLLIRBDKE-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.49
Rot. Bonds

About pyrrolo[2,3-b]pyridin-5-one

pyrrolo[2,3-b]pyridin-5-one (PubChem CID 136504744) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is pyrrolo[2,3-b]pyridin-5-one.

Molecular Properties

Compound Namepyrrolo[2,3-b]pyridin-5-one
PubChem CID136504744
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Namepyrrolo[2,3-b]pyridin-5-one
SMILESO=C1C=NC2=NC=CC2=C1
InChIInChI=1S/C7H4N2O/c10-6-3-5-1-2-8-7(5)9-4-6/h1-4H
InChIKeyCEPPTOLLIRBDKE-UHFFFAOYSA-N
XLogP0.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-b]pyridin-5-one?
The IUPAC name of pyrrolo[2,3-b]pyridin-5-one (CID 136504744) is pyrrolo[2,3-b]pyridin-5-one.
What is the SMILES notation for pyrrolo[2,3-b]pyridin-5-one?
The canonical SMILES for pyrrolo[2,3-b]pyridin-5-one is O=C1C=NC2=NC=CC2=C1.
What is the InChIKey of pyrrolo[2,3-b]pyridin-5-one?
The InChIKey is CEPPTOLLIRBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c10-6-3-5-1-2-8-7(5)9-4-6/h1-4H.
What are the key properties of pyrrolo[2,3-b]pyridin-5-one?
pyrrolo[2,3-b]pyridin-5-one has a molecular weight of 132.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-b]pyridin-5-one is sourced from PubChem (CID 136504744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).