1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione

C9H7ClN2O2 — CID 83813700

IUPAC1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccnc1Cl
InChIInChI=1S/C9H7ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-2,5H,3-4H2
InChIKeyAYQMVYCEIGCRJE-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.39
Rot. Bonds1

About 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione

1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 83813700) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
PubChem CID83813700
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccnc1Cl
InChIInChI=1S/C9H7ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-2,5H,3-4H2
InChIKeyAYQMVYCEIGCRJE-UHFFFAOYSA-N
XLogP1.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.39
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

1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
6-chloro-1-pyridin-2-yl-3,4-dihydroquinolin-2-one
CID 132609221
1-(6-methoxyquinolin-8-yl)pyrrolidine-2,5-dione
CID 608395
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
CID 62470174
1-pyridin-3-ylpyrrolidine-2,5-dione
CID 2737832
1-[2-(bromomethyl)-3-(3-oxopyrido[2,3-b]pyrazin-4-yl)phenyl]pyrrolidine-2,5-dione
CID 22724125
3-(3-bromopyrrol-1-yl)-2-chloropyridine
CID 141169259
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885
dimethyl 1-(2-chloro-3-pyridinyl)-4-oxopyridine-3,5-dicarboxylate
CID 5303504
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione (CID 83813700) is 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is AYQMVYCEIGCRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-2,5H,3-4H2.
What are the key properties of 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione?
1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 210.62 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 83813700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).