5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione

C15H10Cl2N2O2 — CID 54576960

IUPAC5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCc1ccccn1
InChIInChI=1S/C15H10Cl2N2O2/c16-12-7-10-11(8-13(12)17)15(21)19(14(10)20)6-4-9-3-1-2-5-18-9/h1-3,5,7-8H,4,6H2
InChIKeyAEYJUXMTCWTMAT-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.23
Rot. Bonds3

About 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione

5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione (PubChem CID 54576960) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione
PubChem CID54576960
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCc1ccccn1
InChIInChI=1S/C15H10Cl2N2O2/c16-12-7-10-11(8-13(12)17)15(21)19(14(10)20)6-4-9-3-1-2-5-18-9/h1-3,5,7-8H,4,6H2
InChIKeyAEYJUXMTCWTMAT-UHFFFAOYSA-N
XLogP3.23
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.23
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

N-[4-chloro-2-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]phenyl]pyridine-2-carboxamide
CID 11373218
2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134265
2-(2-(Pyridin-2-yl)ethyl)-1H-isoindole-1,3(2H)-dione
CID 231380
2-(Pyridin-3-ylmethyl)isoindoline-1,3-dione
CID 709455
2'-[(3,4-Dichlorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
CID 10500692
[2-(3,4-Dichloro-benzyl)-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl]-acetic acid
CID 10642706
2-[2-[4-(13-Chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 10720216
N-(4-chloro-2-((5-fluoro-1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 11200691
N-(4-chloro-2-((1,3-dioxoisoindolin-2-yl)methyl)phenyl)picolinamide
CID 11463475
2-[5-(4-Acetyl-piperazin-1-yl)-pyridin-3-yl]-5-chloro-3,3-dimethyl-2,3-dihydro-isoindol-1-one
CID 86686014
3-benzyl-5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599882
5-chloro-3-methyl-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599943

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione (CID 54576960) is 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCc1ccccn1.
What is the InChIKey of 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione?
The InChIKey is AEYJUXMTCWTMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-12-7-10-11(8-13(12)17)15(21)19(14(10)20)6-4-9-3-1-2-5-18-9/h1-3,5,7-8H,4,6H2.
What are the key properties of 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione?
5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione has a molecular weight of 321.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-pyridin-2-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 54576960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).