2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid

C10H5Cl2NO4 — CID 712314

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C10H5Cl2NO4/c11-6-1-4-5(2-7(6)12)10(17)13(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15)
InChIKeyLHYSAUZLKMKURN-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.67
Rot. Bonds2

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid (PubChem CID 712314) has the molecular formula C10H5Cl2NO4 and a molecular weight of 274.06 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
PubChem CID712314
Molecular FormulaC10H5Cl2NO4
Molecular Weight274.06 g/mol
Exact Mass272.96
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C10H5Cl2NO4/c11-6-1-4-5(2-7(6)12)10(17)13(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15)
InChIKeyLHYSAUZLKMKURN-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dichlorophthalimide
CID 251543
AK-918/11402438
CID 626647
5,6-Dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
CID 54771827
2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid
CID 2925306
2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
CID 3355361
3-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CID 712315
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 17419609
5,6-Dichloro-2-(4-phenylbutyl)isoindole-1,3-dione
CID 44440476
5,6-Dichloro-2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 45713866
methyl 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoate
CID 2901039
3-methyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
CID 3154389
4-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxylic acid
CID 3719081

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid (CID 712314) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid is O=C(O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid?
The InChIKey is LHYSAUZLKMKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO4/c11-6-1-4-5(2-7(6)12)10(17)13(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid has a molecular weight of 274.06 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid is sourced from PubChem (CID 712314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).