2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione

C15H11ClN2O2 — CID 166173911

IUPAC2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cc(Cl)nc(N2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C15H11ClN2O2/c1-8-7-12(16)17-13(9(8)2)18-14(19)10-5-3-4-6-11(10)15(18)20/h3-7H,1-2H3
InChIKeyXHWUSQHQLYBPLA-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.15
Rot. Bonds1

About 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione

2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione (PubChem CID 166173911) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione
PubChem CID166173911
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione
SMILESCc1cc(Cl)nc(N2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C15H11ClN2O2/c1-8-7-12(16)17-13(9(8)2)18-14(19)10-5-3-4-6-11(10)15(18)20/h3-7H,1-2H3
InChIKeyXHWUSQHQLYBPLA-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-phthalimidopyridine
CID 10999049
N-(5-chloropyridin-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 669851
6-Methyl-2-(phthalimido)pyridine
CID 692293
N-(5-Chloro-2-pyridyl)phthalimide
CID 554989
3-chloro-N-(6-chloropyridin-2-yl)benzamide
CID 44412923
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-propionamide
CID 654298
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(6-methyl-pyridin-2-yl)-butyramide
CID 772774
2-chloro-5-(2,5-dioxo-1-pyrrolidinyl)-N-(6-methyl-2-pyridinyl)benzamide
CID 1259038
6-(1,3-dioxoisoindol-2-yl)-N-(6-methylpyridin-2-yl)hexanamide
CID 2233111
3-Methyl-2-(phthalimidyl)pyridine
CID 10609961
1H-Isoindole-1,3(2H)-dione, 2-(2-pyridinyl)-
CID 554994
2-(5-Methylpyridin-2-yl)isoindoline-1,3-dione
CID 10966552

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione (CID 166173911) is 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione is Cc1cc(Cl)nc(N2C(=O)c3ccccc3C2=O)c1C.
What is the InChIKey of 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione?
The InChIKey is XHWUSQHQLYBPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-7-12(16)17-13(9(8)2)18-14(19)10-5-3-4-6-11(10)15(18)20/h3-7H,1-2H3.
What are the key properties of 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione?
2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione has a molecular weight of 286.72 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dimethyl-2-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 166173911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).