6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one

C15H14N2O2 — CID 71032349

IUPAC6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccccn1)C2
InChIInChI=1S/C15H14N2O2/c1-10-13(18)6-5-11-8-17(15(19)14(10)11)9-12-4-2-3-7-16-12/h2-7,18H,8-9H2,1H3
InChIKeyRIOSHZHPZKBOEI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.25
Rot. Bonds2

About 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one

6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one (PubChem CID 71032349) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one
PubChem CID71032349
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)N(Cc1ccccn1)C2
InChIInChI=1S/C15H14N2O2/c1-10-13(18)6-5-11-8-17(15(19)14(10)11)9-12-4-2-3-7-16-12/h2-7,18H,8-9H2,1H3
InChIKeyRIOSHZHPZKBOEI-UHFFFAOYSA-N
XLogP2.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one?
The IUPAC name of 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one (CID 71032349) is 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one is Cc1c(O)ccc2c1C(=O)N(Cc1ccccn1)C2.
What is the InChIKey of 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one?
The InChIKey is RIOSHZHPZKBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-13(18)6-5-11-8-17(15(19)14(10)11)9-12-4-2-3-7-16-12/h2-7,18H,8-9H2,1H3.
What are the key properties of 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one?
6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methyl-2-(pyridin-2-ylmethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71032349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).