7-pyridin-4-yl-2,3-dihydroisoindol-1-one

C13H10N2O — CID 71149614

IUPAC7-pyridin-4-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccncc3)c21
InChIInChI=1S/C13H10N2O/c16-13-12-10(8-15-13)2-1-3-11(12)9-4-6-14-7-5-9/h1-7H,8H2,(H,15,16)
InChIKeySNHDTPZETANDDG-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.99
Rot. Bonds1

About 7-pyridin-4-yl-2,3-dihydroisoindol-1-one

7-pyridin-4-yl-2,3-dihydroisoindol-1-one (PubChem CID 71149614) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 7-pyridin-4-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-pyridin-4-yl-2,3-dihydroisoindol-1-one
PubChem CID71149614
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name7-pyridin-4-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccncc3)c21
InChIInChI=1S/C13H10N2O/c16-13-12-10(8-15-13)2-1-3-11(12)9-4-6-14-7-5-9/h1-7H,8H2,(H,15,16)
InChIKeySNHDTPZETANDDG-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-pyridin-4-yl-2,3-dihydroisoindol-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 7-pyridin-4-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-pyridin-4-yl-2,3-dihydroisoindol-1-one (CID 71149614) is 7-pyridin-4-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-pyridin-4-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-pyridin-4-yl-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3ccncc3)c21.
What is the InChIKey of 7-pyridin-4-yl-2,3-dihydroisoindol-1-one?
The InChIKey is SNHDTPZETANDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c16-13-12-10(8-15-13)2-1-3-11(12)9-4-6-14-7-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of 7-pyridin-4-yl-2,3-dihydroisoindol-1-one?
7-pyridin-4-yl-2,3-dihydroisoindol-1-one has a molecular weight of 210.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 71149614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).