2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione

C15H12N2O3 — CID 58784002

IUPAC2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(CO)n1
InChIInChI=1S/C15H12N2O3/c18-9-11-5-3-4-10(16-11)8-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-7,18H,8-9H2
InChIKeyMNAYJXBJMNCVCZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.37
Rot. Bonds3

About 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione

2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 58784002) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID58784002
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(CO)n1
InChIInChI=1S/C15H12N2O3/c18-9-11-5-3-4-10(16-11)8-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-7,18H,8-9H2
InChIKeyMNAYJXBJMNCVCZ-UHFFFAOYSA-N
XLogP1.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione 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 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione (CID 58784002) is 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(CO)n1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is MNAYJXBJMNCVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-9-11-5-3-4-10(16-11)8-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-7,18H,8-9H2.
What are the key properties of 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione?
2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 58784002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).