6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

C13H9ClN2O2 — CID 126459065

IUPAC6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7,13,18H
InChIKeyLIFQDFKMVNGAMY-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.39
Rot. Bonds1

About 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 126459065) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID126459065
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7,13,18H
InChIKeyLIFQDFKMVNGAMY-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 126459065) is 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)N1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LIFQDFKMVNGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-8-3-5-9(6-4-8)16-12(17)10-2-1-7-15-11(10)13(16)18/h1-7,13,18H.
What are the key properties of 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 260.68 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 126459065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).