3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one

C14H12N2O2 — CID 5308351

IUPAC3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2O)nc1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(16)18/h2-8,13,17H,1H3
InChIKeyIOFPIPAAYHPSKO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.04
Rot. Bonds1

About 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one

3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one (PubChem CID 5308351) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one
PubChem CID5308351
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1ccc(N2C(=O)c3ccccc3C2O)nc1
InChIInChI=1S/C14H12N2O2/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(16)18/h2-8,13,17H,1H3
InChIKeyIOFPIPAAYHPSKO-UHFFFAOYSA-N
XLogP2.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one (CID 5308351) is 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one is Cc1ccc(N2C(=O)c3ccccc3C2O)nc1.
What is the InChIKey of 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one?
The InChIKey is IOFPIPAAYHPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(16)18/h2-8,13,17H,1H3.
What are the key properties of 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one?
3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(5-methyl-2-pyridinyl)-3H-isoindol-1-one is sourced from PubChem (CID 5308351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).