3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one

C13H10N2O2 — CID 5307393

IUPAC3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1c1cccnc1
InChIInChI=1S/C13H10N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-8,12,16H
InChIKeyZUSXTKKVTBWCIE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.73
Rot. Bonds1

About 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one

3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one (PubChem CID 5307393) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one
PubChem CID5307393
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1c1cccnc1
InChIInChI=1S/C13H10N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-8,12,16H
InChIKeyZUSXTKKVTBWCIE-UHFFFAOYSA-N
XLogP1.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one (CID 5307393) is 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1c1cccnc1.
What is the InChIKey of 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one?
The InChIKey is ZUSXTKKVTBWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-8,12,16H.
What are the key properties of 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one?
3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one has a molecular weight of 226.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyridin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 5307393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).