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

C14H10N2O2 — CID 617202

IUPAC2-(pyridin-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccn1
InChIInChI=1S/C14H10N2O2/c17-13-11-6-1-2-7-12(11)14(18)16(13)9-10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyVLXJCTIPUCCTKN-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.88
Rot. Bonds2

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

2-(pyridin-2-ylmethyl)isoindole-1,3-dione (PubChem CID 617202) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)isoindole-1,3-dione
PubChem CID617202
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(pyridin-2-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccn1
InChIInChI=1S/C14H10N2O2/c17-13-11-6-1-2-7-12(11)14(18)16(13)9-10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyVLXJCTIPUCCTKN-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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Related Compounds

4-Phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
CID 3071506
PARP Inhibitor XIV
CID 25113764
Piberaline
CID 65975
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
CID 6526506
4-Methyl-2-phthalimidopyridine
CID 10999049
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
1H-Indol-1-ylphenylmethanone
CID 200283
(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
Thiazoloisoindol-5-one deriv. 70
CID 455142
2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134265
10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598423
4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-N-(2-fluorophenyl)butanamide
CID 4382156

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(pyridin-2-ylmethyl)isoindole-1,3-dione (CID 617202) is 2-(pyridin-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(pyridin-2-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is VLXJCTIPUCCTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-13-11-6-1-2-7-12(11)14(18)16(13)9-10-5-3-4-8-15-10/h1-8H,9H2.
What are the key properties of 2-(pyridin-2-ylmethyl)isoindole-1,3-dione?
2-(pyridin-2-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-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 617202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).