5,6-dichloro-2-methylisoindole-1,3-dione

C9H5Cl2NO2 — CID 13152716

IUPAC5,6-dichloro-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C9H5Cl2NO2/c1-12-8(13)4-2-6(10)7(11)3-5(4)9(12)14/h2-3H,1H3
InChIKeyAJEVMYBLVGAQPN-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.22
Rot. Bonds

About 5,6-dichloro-2-methylisoindole-1,3-dione

5,6-dichloro-2-methylisoindole-1,3-dione (PubChem CID 13152716) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 5,6-dichloro-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-methylisoindole-1,3-dione
PubChem CID13152716
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name5,6-dichloro-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C9H5Cl2NO2/c1-12-8(13)4-2-6(10)7(11)3-5(4)9(12)14/h2-3H,1H3
InChIKeyAJEVMYBLVGAQPN-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylisoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-methylisoindole-1,3-dione (CID 13152716) is 5,6-dichloro-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-methylisoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-methylisoindole-1,3-dione is CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 5,6-dichloro-2-methylisoindole-1,3-dione?
The InChIKey is AJEVMYBLVGAQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c1-12-8(13)4-2-6(10)7(11)3-5(4)9(12)14/h2-3H,1H3.
What are the key properties of 5,6-dichloro-2-methylisoindole-1,3-dione?
5,6-dichloro-2-methylisoindole-1,3-dione has a molecular weight of 230.05 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylisoindole-1,3-dione is sourced from PubChem (CID 13152716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).