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

C14H11FN2O2 — CID 3237550

IUPAC6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7,14,19H,8H2
InChIKeyMNGZEBRDZOBCFK-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.87
Rot. Bonds2

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

6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3237550) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3237550
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7,14,19H,8H2
InChIKeyMNGZEBRDZOBCFK-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3237550) is 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)N1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MNGZEBRDZOBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-10-5-3-9(4-6-10)8-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7,14,19H,8H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 258.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3237550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).