2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid

C12H10ClNO4 — CID 50888852

IUPAC2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(N2C(=O)CCCC2=O)ccc1Cl
InChIInChI=1S/C12H10ClNO4/c13-9-5-4-7(6-8(9)12(17)18)14-10(15)2-1-3-11(14)16/h4-6H,1-3H2,(H,17,18)
InChIKeyDZCRORHDVJVDLG-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.08
Rot. Bonds2

About 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid

2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid (PubChem CID 50888852) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid
PubChem CID50888852
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid
SMILESO=C(O)c1cc(N2C(=O)CCCC2=O)ccc1Cl
InChIInChI=1S/C12H10ClNO4/c13-9-5-4-7(6-8(9)12(17)18)14-10(15)2-1-3-11(14)16/h4-6H,1-3H2,(H,17,18)
InChIKeyDZCRORHDVJVDLG-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid (CID 50888852) is 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid is O=C(O)c1cc(N2C(=O)CCCC2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid?
The InChIKey is DZCRORHDVJVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c13-9-5-4-7(6-8(9)12(17)18)14-10(15)2-1-3-11(14)16/h4-6H,1-3H2,(H,17,18).
What are the key properties of 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid?
2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid has a molecular weight of 267.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,6-dioxopiperidin-1-yl)benzoic acid is sourced from PubChem (CID 50888852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).