6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

C14H12N2O2 — CID 3240034

IUPAC6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2
InChIKeyBOKDCCUPYIXRRA-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.73
Rot. Bonds2

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

6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3240034) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3240034
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2
InChIKeyBOKDCCUPYIXRRA-UHFFFAOYSA-N
XLogP1.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3240034) is 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)N1Cc1ccccc1.
What is the InChIKey of 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is BOKDCCUPYIXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8,14,18H,9H2.
What are the key properties of 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 240.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3240034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).