2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione

C14H12N2O2 — CID 142291806

IUPAC2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione
SMILESCc1cccc(N2C(=O)C3=C(CCC=C3)C2=O)n1
InChIInChI=1S/C14H12N2O2/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(16)18/h2,4-6,8H,3,7H2,1H3
InChIKeyKVJIWGASGIETGK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.91
Rot. Bonds1

About 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione

2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione (PubChem CID 142291806) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione
PubChem CID142291806
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione
SMILESCc1cccc(N2C(=O)C3=C(CCC=C3)C2=O)n1
InChIInChI=1S/C14H12N2O2/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(16)18/h2,4-6,8H,3,7H2,1H3
InChIKeyKVJIWGASGIETGK-UHFFFAOYSA-N
XLogP1.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.91
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

(1R,7S)-4-(6-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 91653706
(1R,2S,6R,7R)-4-(6-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309765
6-[2-(6-methyl-2-pyridinyl)cyclohexa-1,5-dien-1-yl]pyrazolo[1,5-a]pyridine
CID 163656799
ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
(1R,2S,6R,7R,8S,9S)-8,9-dibromo-4-(6-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124718293
(3aS,7aS)-5-methyl-2-(6-methyl-2-pyridinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98336403
2-(6-methyl-2-pyridinyl)-5-[2-(6-methyl-2-pyridinyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 1104109
(1S,2R,6S,7S)-1,7,8,9,10,10-hexachloro-4-(6-methyl-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98549165
5-(1-adamantyl)-2-(6-methyl-2-pyridinyl)isoindole-1,3-dione
CID 4536341
4-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-one
CID 118426773
2,6-dimethylpyridine;sulfane
CID 134564621
2,6-dimethylpyridine;ethane
CID 54453947

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione (CID 142291806) is 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione is Cc1cccc(N2C(=O)C3=C(CCC=C3)C2=O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione?
The InChIKey is KVJIWGASGIETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-5-4-8-12(15-9)16-13(17)10-6-2-3-7-11(10)14(16)18/h2,4-6,8H,3,7H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione?
2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione has a molecular weight of 240.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 142291806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).