2-(pyridin-3-ylmethyl)isoindole-1,3-dione

C14H10N2O2 — CID 709455

IUPAC2-(pyridin-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C14H10N2O2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-4-3-7-15-8-10/h1-8H,9H2
InChIKeyXMDAVDGDONYZJJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.88
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)isoindole-1,3-dione

2-(pyridin-3-ylmethyl)isoindole-1,3-dione (PubChem CID 709455) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)isoindole-1,3-dione
PubChem CID709455
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(pyridin-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C14H10N2O2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-4-3-7-15-8-10/h1-8H,9H2
InChIKeyXMDAVDGDONYZJJ-UHFFFAOYSA-N
XLogP1.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(pyridin-3-ylmethyl)isoindole-1,3-dione (CID 709455) is 2-(pyridin-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(pyridin-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is XMDAVDGDONYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-11-5-1-2-6-12(11)14(18)16(13)9-10-4-3-7-15-8-10/h1-8H,9H2.
What are the key properties of 2-(pyridin-3-ylmethyl)isoindole-1,3-dione?
2-(pyridin-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 238.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 709455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).