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

C15H7Cl2NO5 — CID 151137388

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C15H7Cl2NO5/c16-8-4-6-7(5-9(8)17)14(21)18(13(6)20)10-2-1-3-11(19)12(10)15(22)23/h1-5,19H,(H,22,23)
InChIKeyMVMCURBMKSUJPE-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.20
Rot. Bonds2

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

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid (PubChem CID 151137388) has the molecular formula C15H7Cl2NO5 and a molecular weight of 352.13 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid
PubChem CID151137388
Molecular FormulaC15H7Cl2NO5
Molecular Weight352.13 g/mol
Exact Mass350.97
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C15H7Cl2NO5/c16-8-4-6-7(5-9(8)17)14(21)18(13(6)20)10-2-1-3-11(19)12(10)15(22)23/h1-5,19H,(H,22,23)
InChIKeyMVMCURBMKSUJPE-UHFFFAOYSA-N
XLogP3.20
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-(5-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
CID 151179339
2-(2,3-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 761478
2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 746439
2-hydroxy-6-(triazol-2-yl)benzoic acid
CID 84672925
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
3-bromo-2-chloro-6-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517197
5,6-dichloro-2-(4-hydroxyphenyl)isoindole-1,3-dione
CID 691521
5,6-dichloro-2-phenyl-3-sulfanylideneisoindol-1-one
CID 13163058
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
2-chloro-6-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)benzoic acid
CID 64837241
2-carboxy-3-hydroxyphenolate
CID 54676638

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid (CID 151137388) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid is O=C(O)c1c(O)cccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid?
The InChIKey is MVMCURBMKSUJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2NO5/c16-8-4-6-7(5-9(8)17)14(21)18(13(6)20)10-2-1-3-11(19)12(10)15(22)23/h1-5,19H,(H,22,23).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid has a molecular weight of 352.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-6-hydroxybenzoic acid is sourced from PubChem (CID 151137388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).