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

C13H5Cl3N2O2 — CID 3623386

IUPAC5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H5Cl3N2O2/c14-6-1-2-8-9(3-6)13(20)18(12(8)19)7-4-10(15)17-11(16)5-7/h1-5H
InChIKeyQUSZAXIMVKKDPF-UHFFFAOYSA-N
MW327.55 g/mol
LogP3.84
Rot. Bonds1

About 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione

5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione (PubChem CID 3623386) has the molecular formula C13H5Cl3N2O2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione
PubChem CID3623386
Molecular FormulaC13H5Cl3N2O2
Molecular Weight327.55 g/mol
Exact Mass325.94
IUPAC Name5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione
SMILESO=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H5Cl3N2O2/c14-6-1-2-8-9(3-6)13(20)18(12(8)19)7-4-10(15)17-11(16)5-7/h1-5H
InChIKeyQUSZAXIMVKKDPF-UHFFFAOYSA-N
XLogP3.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 53.84
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

2-(3-bromo-4-methylphenyl)-5-chloroisoindole-1,3-dione
CID 1219486
5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
CID 137446567
5-chloro-2-(4-heptylphenyl)isoindole-1,3-dione
CID 59549842
5-chloro-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 13245428
2-[4-(5-aminopentylamino)phenyl]-5-chloroisoindole-1,3-dione
CID 70840125
5-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione
CID 46494812
5-methyl-2-(3,4,5-trichlorophenyl)isoindole-1,3-dione
CID 53231887
5-chloro-2-(2-hydroxyethyl)isoindole-1,3-dione
CID 13321636
2-(4-chlorophenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 710862
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
CID 818224
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
(3-chlorophenyl)methyl 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 18276790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione?
The IUPAC name of 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione (CID 3623386) is 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione.
What is the SMILES notation for 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione?
The canonical SMILES for 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione is O=C1c2ccc(Cl)cc2C(=O)N1c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione?
The InChIKey is QUSZAXIMVKKDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3N2O2/c14-6-1-2-8-9(3-6)13(20)18(12(8)19)7-4-10(15)17-11(16)5-7/h1-5H.
What are the key properties of 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione?
5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione has a molecular weight of 327.55 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione is sourced from PubChem (CID 3623386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).